trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C19H27N3O3 — CID 95596952

IUPACtrans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H27N3O3/c1-14-12-16(14)19(25)21-10-8-17(23)20-11-9-18(24)22(2)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,23)(H,21,25)/t14-,16-/m0/s1
InChIKeyIDPXMPHJEZEGEC-HOCLYGCPSA-N
MW345.44 g/mol
LogP1.31
Rot. Bonds9

About trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 95596952) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID95596952
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametrans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H27N3O3/c1-14-12-16(14)19(25)21-10-8-17(23)20-11-9-18(24)22(2)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,23)(H,21,25)/t14-,16-/m0/s1
InChIKeyIDPXMPHJEZEGEC-HOCLYGCPSA-N
XLogP1.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide 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

Melinamide
CID 20054967
Nebracetam
CID 65926
N-(Phenylmethyl)hexadecanamide
CID 11198769
Myramistin
CID 72949
N-Benzyloleamide
CID 49865534
N-Benzyl-(9Z,12Z,15Z)-octadecatrienamide
CID 68741582
N-Benzyl-linoleamide
CID 68742556
N-Benzylacetamide
CID 11500
N-benzyl-2-cyclohexylacetamide
CID 880904
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
n,n'-Dibenzylmalonamide
CID 735256
Acetoacetobenzylamide
CID 70159

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 95596952) is trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is IDPXMPHJEZEGEC-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-12-16(14)19(25)21-10-8-17(23)20-11-9-18(24)22(2)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,23)(H,21,25)/t14-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95596952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).