N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C20H28N4O3 — CID 136543832

IUPACN-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCC2CCCCN(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C20H28N4O3/c1-22-15-19(26)24(20(22)27)14-18(25)21-11-17-9-5-6-10-23(13-17)12-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,21,25)
InChIKeyUXWLPJMBMYKZLI-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.30
Rot. Bonds6

About N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 136543832) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID136543832
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCC2CCCCN(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C20H28N4O3/c1-22-15-19(26)24(20(22)27)14-18(25)21-11-17-9-5-6-10-23(13-17)12-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,21,25)
InChIKeyUXWLPJMBMYKZLI-UHFFFAOYSA-N
XLogP1.30
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
(2S)-2-[(1-benzylazepan-3-yl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 136582146
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
N-(3,3-diphenylpropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014704
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 136543832) is N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)NCC2CCCCN(Cc3ccccc3)C2)C1=O.
What is the InChIKey of N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is UXWLPJMBMYKZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-22-15-19(26)24(20(22)27)14-18(25)21-11-17-9-5-6-10-23(13-17)12-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,21,25).
What are the key properties of N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylazepan-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 136543832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).