N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide

C16H24N2O — CID 78922158

IUPACN-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
SMILESCCc1ccc(CNCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-13-5-7-14(8-6-13)12-17-11-3-4-16(19)18-15-9-10-15/h5-8,15,17H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyKFCZJJYKPSRKTD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.40
Rot. Bonds8

About N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide

N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide (PubChem CID 78922158) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
PubChem CID78922158
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
SMILESCCc1ccc(CNCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-13-5-7-14(8-6-13)12-17-11-3-4-16(19)18-15-9-10-15/h5-8,15,17H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyKFCZJJYKPSRKTD-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
CID 78922185
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
CID 107685855
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
CID 112729982
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide
CID 79393798
N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 103001655
N-cyclopropyl-4-[[N-[1-(4-ethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111321681

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide (CID 78922158) is N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide is CCc1ccc(CNCCCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide?
The InChIKey is KFCZJJYKPSRKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-13-5-7-14(8-6-13)12-17-11-3-4-16(19)18-15-9-10-15/h5-8,15,17H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide?
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide is sourced from PubChem (CID 78922158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).