N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide

C14H18N2O2 — CID 17187554

IUPACN-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O2/c1-2-4-13(17)15-11-5-3-6-12(9-11)16-14(18)10-7-8-10/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyYKRCAPDVIGFICB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.77
Rot. Bonds5

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

N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 17187554) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID17187554
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O2/c1-2-4-13(17)15-11-5-3-6-12(9-11)16-14(18)10-7-8-10/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyYKRCAPDVIGFICB-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[[3-(butanoylamino)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17187694
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
9-amino-N-[3-(butanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986622
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
CID 81083957
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide (CID 17187554) is N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide is CCCC(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is YKRCAPDVIGFICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-4-13(17)15-11-5-3-6-12(9-11)16-14(18)10-7-8-10/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide?
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.77, 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]cyclopropanecarboxamide is sourced from PubChem (CID 17187554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).