N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride

C35H65Cl2N7O6 — CID 160595139

IUPACN-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride
SMILESCl.Cl.O=C(CNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1)NCC(=O)N[C@@H](CCCN1CCCCC1)C(=O)NCCN1CCCCC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C35H57N7O6.2ClH.3H2/c43-31(25-38-34(46)29(24-27-12-4-1-5-13-27)40-35(47)30-15-11-23-48-30)37-26-32(44)39-28(14-10-21-41-17-6-2-7-18-41)33(45)36-16-22-42-19-8-3-9-20-42;;;;;/h11,15,23,27-29H,1-10,12-14,16-22,24-26H2,(H,36,45)(H,37,43)(H,38,46)(H,39,44)(H,40,47);5*1H/t28-,29-;;;;;/m0...../s1
InChIKeyLAYXFDJJWPAZAJ-NQCBKVASSA-N
MW750.85 g/mol
LogP3.52
Rot. Bonds18

About N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride

N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride (PubChem CID 160595139) has the molecular formula C35H65Cl2N7O6 and a molecular weight of 750.85 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride
PubChem CID160595139
Molecular FormulaC35H65Cl2N7O6
Molecular Weight750.85 g/mol
Exact Mass749.44
IUPAC NameN-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride
SMILESCl.Cl.O=C(CNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1)NCC(=O)N[C@@H](CCCN1CCCCC1)C(=O)NCCN1CCCCC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C35H57N7O6.2ClH.3H2/c43-31(25-38-34(46)29(24-27-12-4-1-5-13-27)40-35(47)30-15-11-23-48-30)37-26-32(44)39-28(14-10-21-41-17-6-2-7-18-41)33(45)36-16-22-42-19-8-3-9-20-42;;;;;/h11,15,23,27-29H,1-10,12-14,16-22,24-26H2,(H,36,45)(H,37,43)(H,38,46)(H,39,44)(H,40,47);5*1H/t28-,29-;;;;;/m0...../s1
InChIKeyLAYXFDJJWPAZAJ-NQCBKVASSA-N
XLogP3.52
TPSA165.12 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500750.85
LogP ≤ 53.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46523666
2-[[2-[[(2S)-3-cyclohexyl-2-[(4,5-dimethylfuran-2-carbonyl)amino]propanoyl]amino]acetyl]amino]acetic acid
CID 140536562
N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide
CID 17459688
tert-butyl N-[(2S)-3-cyclohexyl-1-oxo-1-(2-piperidin-1-ylethylamino)propan-2-yl]carbamate
CID 67038034
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[(2S)-3-cyclopentyl-1-[(1-methylsulfonyl-3-oxoazepan-4-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 58610042
methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate
CID 159951428
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119620715
N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide
CID 72547640
N-[(2S)-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]-5-piperidin-1-ylpentan-2-yl]-1-benzofuran-2-carboxamide
CID 72548585
(2S)-4-[4-(benzylamino)-3-(furan-2-carbonylamino)-4-oxobutyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 126601769
N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 134015009

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride (CID 160595139) is N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride is Cl.Cl.O=C(CNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1)NCC(=O)N[C@@H](CCCN1CCCCC1)C(=O)NCCN1CCCCC1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride?
The InChIKey is LAYXFDJJWPAZAJ-NQCBKVASSA-N. The full InChI is InChI=1S/C35H57N7O6.2ClH.3H2/c43-31(25-38-34(46)29(24-27-12-4-1-5-13-27)40-35(47)30-15-11-23-48-30)37-26-32(44)39-28(14-10-21-41-17-6-2-7-18-41)33(45)36-16-22-42-19-8-3-9-20-42;;;;;/h11,15,23,27-29H,1-10,12-14,16-22,24-26H2,(H,36,45)(H,37,43)(H,38,46)(H,39,44)(H,40,47);5*1H/t28-,29-;;;;;/m0...../s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride?
N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride has a molecular weight of 750.85 g/mol, XLogP of 3.52, 18 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-oxo-1-[[2-oxo-2-[[2-oxo-2-[[(2S)-1-oxo-5-piperidin-1-yl-1-(2-piperidin-1-ylethylamino)pentan-2-yl]amino]ethyl]amino]ethyl]amino]propan-2-yl]furan-2-carboxamide;molecular hydrogen;dihydrochloride is sourced from PubChem (CID 160595139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).