2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide

C14H21N3O — CID 55130364

IUPAC2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(N)=O)C2CCCC2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-6-7-12(8-13(10)15)17(9-14(16)18)11-4-2-3-5-11/h6-8,11H,2-5,9,15H2,1H3,(H2,16,18)
InChIKeyBIBQAFNICJVRRD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.81
Rot. Bonds4

About 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide

2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide (PubChem CID 55130364) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide
PubChem CID55130364
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(N)=O)C2CCCC2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-6-7-12(8-13(10)15)17(9-14(16)18)11-4-2-3-5-11/h6-8,11H,2-5,9,15H2,1H3,(H2,16,18)
InChIKeyBIBQAFNICJVRRD-UHFFFAOYSA-N
XLogP1.81
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.81
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-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
CID 62122770
2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid
CID 113419729
2-[cyclopentyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104533712
4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
CID 43540845
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929
2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-cyclopentylamino]acetamide
CID 80629884
6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid
CID 80632655
2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide
CID 54989261
2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
CID 81274144
1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine
CID 62912657
2-[2-(aminomethyl)-N-cyclopentyl-4-fluoroanilino]acetamide
CID 54989142
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide?
The IUPAC name of 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide (CID 55130364) is 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide.
What is the SMILES notation for 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide?
The canonical SMILES for 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide is Cc1ccc(N(CC(N)=O)C2CCCC2)cc1N.
What is the InChIKey of 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide?
The InChIKey is BIBQAFNICJVRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-7-12(8-13(10)15)17(9-14(16)18)11-4-2-3-5-11/h6-8,11H,2-5,9,15H2,1H3,(H2,16,18).
What are the key properties of 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide?
2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide is sourced from PubChem (CID 55130364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).