2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide

C17H25N3O2 — CID 75499278

IUPAC2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C17H25N3O2/c1-18-15(21)12-19-16(22)20-13-17(9-5-6-10-17)11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyUDNFFKBLHWVMKT-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.83
Rot. Bonds6

About 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide

2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide (PubChem CID 75499278) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
PubChem CID75499278
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C17H25N3O2/c1-18-15(21)12-19-16(22)20-13-17(9-5-6-10-17)11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyUDNFFKBLHWVMKT-UHFFFAOYSA-N
XLogP1.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 97223869
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
CID 84597592
1-[[[2-(methylamino)-2-oxoethyl]carbamoylamino]methyl]cycloheptane-1-carboxylic acid
CID 115444709
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea
CID 110013379
1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 71920840
2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977496
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977084
7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
CID 119821633

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide?
The IUPAC name of 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide (CID 75499278) is 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide?
The canonical SMILES for 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide is CNC(=O)CNC(=O)NCC1(Cc2ccccc2)CCCC1.
What is the InChIKey of 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide?
The InChIKey is UDNFFKBLHWVMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-15(21)12-19-16(22)20-13-17(9-5-6-10-17)11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide?
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide has a molecular weight of 303.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide is sourced from PubChem (CID 75499278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).