N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide

C14H22N2O — CID 61218501

IUPACN-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-11(2)14(17)16-10-9-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyRGMQZQQUMQDLNR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide

N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide (PubChem CID 61218501) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
PubChem CID61218501
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-11(2)14(17)16-10-9-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyRGMQZQQUMQDLNR-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
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

N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide
CID 23903259
N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
CID 110478416
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119760944
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
CID 23389090
CID 23389090
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide (CID 61218501) is N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide is CCCC(C)C(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide?
The InChIKey is RGMQZQQUMQDLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-11(2)14(17)16-10-9-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide?
N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 61218501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).