N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide

C16H22N2O2 — CID 47309445

IUPACN-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C16H22N2O2/c1-2-6-15(19)17-13-9-5-10-14(11-13)18-16(20)12-7-3-4-8-12/h5,9-12H,2-4,6-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyPKRNWPBSMPUOJT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.55
Rot. Bonds5

About N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide

N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide (PubChem CID 47309445) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
PubChem CID47309445
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C16H22N2O2/c1-2-6-15(19)17-13-9-5-10-14(11-13)18-16(20)12-7-3-4-8-12/h5,9-12H,2-4,6-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyPKRNWPBSMPUOJT-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[[3-(butanoylamino)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17187694
9-amino-N-[3-(butanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986622
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide (CID 47309445) is N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide is CCCC(=O)Nc1cccc(NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide?
The InChIKey is PKRNWPBSMPUOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-6-15(19)17-13-9-5-10-14(11-13)18-16(20)12-7-3-4-8-12/h5,9-12H,2-4,6-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide?
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 47309445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).