N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide

C16H24N2O — CID 43460533

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-3-13(4-2)16(19)18(15-9-10-15)11-12-5-7-14(17)8-6-12/h5-8,13,15H,3-4,9-11,17H2,1-2H3
InChIKeyQASAEAPIGUXHHA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.20
Rot. Bonds6

About N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide

N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide (PubChem CID 43460533) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
PubChem CID43460533
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-3-13(4-2)16(19)18(15-9-10-15)11-12-5-7-14(17)8-6-12/h5-8,13,15H,3-4,9-11,17H2,1-2H3
InChIKeyQASAEAPIGUXHHA-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
CID 43460515
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
CID 61163913
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide
CID 62687145
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide (CID 43460533) is N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide is CCC(CC)C(=O)N(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide?
The InChIKey is QASAEAPIGUXHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13(4-2)16(19)18(15-9-10-15)11-12-5-7-14(17)8-6-12/h5-8,13,15H,3-4,9-11,17H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide?
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide is sourced from PubChem (CID 43460533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).