N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide

C16H21N3O3 — CID 54786522

IUPACN-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1
InChIInChI=1S/C16H21N3O3/c1-11(20)17-14-8-6-13(7-9-14)16(22)19-18-15(21)10-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyLJQBVMZLVBPMOU-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.99
Rot. Bonds4

About N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide

N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide (PubChem CID 54786522) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide
PubChem CID54786522
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1
InChIInChI=1S/C16H21N3O3/c1-11(20)17-14-8-6-13(7-9-14)16(22)19-18-15(21)10-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyLJQBVMZLVBPMOU-UHFFFAOYSA-N
XLogP1.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
N-[4-[[(2-cyclopentylacetyl)carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide
CID 54786933
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 103163862
4-acetamido-N-cyclooctylbenzamide
CID 2990044
(4-acetamidophenyl) 2-cyclohexylacetate
CID 51152581
2-cyclopentyl-N'-[2-(4-methylanilino)acetyl]acetohydrazide
CID 18140158
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide (CID 54786522) is N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1.
What is the InChIKey of N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide?
The InChIKey is LJQBVMZLVBPMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(20)17-14-8-6-13(7-9-14)16(22)19-18-15(21)10-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide?
N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 54786522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).