N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide

C15H20N2O2 — CID 17193989

IUPACN-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)9-14(18)16-12-5-7-13(8-6-12)17-15(19)11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJKFOKDABKNPBET-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.02
Rot. Bonds5

About N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide

N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 17193989) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID17193989
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)9-14(18)16-12-5-7-13(8-6-12)17-15(19)11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJKFOKDABKNPBET-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
4-[4-(3-methylbutanoylamino)anilino]cyclohexane-1-carboxylic acid
CID 122029485
N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 60727380
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide
CID 55546131

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide (CID 17193989) is N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide is CC(C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is JKFOKDABKNPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)9-14(18)16-12-5-7-13(8-6-12)17-15(19)11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide?
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 17193989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).