N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide

C16H23N3O2 — CID 107174783

IUPACN-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C16H23N3O2/c1-11-4-2-7-14(11)16(21)19(10-15(18)20)9-12-5-3-6-13(17)8-12/h3,5-6,8,11,14H,2,4,7,9-10,17H2,1H3,(H2,18,20)
InChIKeyKZZINIKSONYTAM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.52
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide

N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107174783) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107174783
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C16H23N3O2/c1-11-4-2-7-14(11)16(21)19(10-15(18)20)9-12-5-3-6-13(17)8-12/h3,5-6,8,11,14H,2,4,7,9-10,17H2,1H3,(H2,18,20)
InChIKeyKZZINIKSONYTAM-UHFFFAOYSA-N
XLogP1.52
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
CID 43459677
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide
CID 62921617
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-3-ethoxypropanamide
CID 62590077
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide
CID 107937388
N-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide
CID 144887966
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide
CID 106683133
2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43461225

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide (CID 107174783) is N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)N(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is KZZINIKSONYTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-4-2-7-14(11)16(21)19(10-15(18)20)9-12-5-3-6-13(17)8-12/h3,5-6,8,11,14H,2,4,7,9-10,17H2,1H3,(H2,18,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).