N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride

C16H26ClN3O3 — CID 119589410

IUPACN-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)CCNC(=O)c1ccco1)C1CCCCC1
InChIInChI=1S/C16H25N3O3.ClH/c17-11-13(12-5-2-1-3-6-12)19-15(20)8-9-18-16(21)14-7-4-10-22-14;/h4,7,10,12-13H,1-3,5-6,8-9,11,17H2,(H,18,21)(H,19,20);1H
InChIKeyPRQAUCXGPAVYIH-UHFFFAOYSA-N
MW343.86 g/mol
LogP1.85
Rot. Bonds7

About N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride

N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride (PubChem CID 119589410) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
PubChem CID119589410
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC NameN-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)CCNC(=O)c1ccco1)C1CCCCC1
InChIInChI=1S/C16H25N3O3.ClH/c17-11-13(12-5-2-1-3-6-12)19-15(20)8-9-18-16(21)14-7-4-10-22-14;/h4,7,10,12-13H,1-3,5-6,8-9,11,17H2,(H,18,21)(H,19,20);1H
InChIKeyPRQAUCXGPAVYIH-UHFFFAOYSA-N
XLogP1.85
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride 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-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119609655
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 119591532
N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 119601214
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119590926
N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 39594557
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119591706
N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51951505
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride (CID 119589410) is N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)CCNC(=O)c1ccco1)C1CCCCC1.
What is the InChIKey of N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride?
The InChIKey is PRQAUCXGPAVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c17-11-13(12-5-2-1-3-6-12)19-15(20)8-9-18-16(21)14-7-4-10-22-14;/h4,7,10,12-13H,1-3,5-6,8-9,11,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride?
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119589410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).