N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide

C15H21N3O2 — CID 61251881

IUPACN-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
SMILESCNCCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-16-10-2-3-14(19)17-12-6-8-13(9-7-12)18-15(20)11-4-5-11/h6-9,11,16H,2-5,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyHHPBKGJATJVTHB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds7

About N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide

N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 61251881) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID61251881
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
SMILESCNCCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-16-10-2-3-14(19)17-12-6-8-13(9-7-12)18-15(20)11-4-5-11/h6-9,11,16H,2-5,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyHHPBKGJATJVTHB-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
CID 79193047
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
3-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]propanoic acid
CID 119252599
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119702385
4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide (CID 61251881) is N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide is CNCCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is HHPBKGJATJVTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-10-2-3-14(19)17-12-6-8-13(9-7-12)18-15(20)11-4-5-11/h6-9,11,16H,2-5,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide?
N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 61251881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).