N-(3-amino-4-ethylphenyl)-2-methylpentanamide

C14H22N2O — CID 43550225

IUPACN-(3-amino-4-ethylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(CC)c(N)c1
InChIInChI=1S/C14H22N2O/c1-4-6-10(3)14(17)16-12-8-7-11(5-2)13(15)9-12/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyRCDACLYZMZPOGS-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.21
Rot. Bonds5

About N-(3-amino-4-ethylphenyl)-2-methylpentanamide

N-(3-amino-4-ethylphenyl)-2-methylpentanamide (PubChem CID 43550225) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2-methylpentanamide
PubChem CID43550225
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3-amino-4-ethylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(CC)c(N)c1
InChIInChI=1S/C14H22N2O/c1-4-6-10(3)14(17)16-12-8-7-11(5-2)13(15)9-12/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyRCDACLYZMZPOGS-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-(3-amino-4-ethylphenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224973
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
N-(6-amino-3-pyridinyl)-2-methylpentanamide
CID 62899385
[amino-[4-(2-methylpentanoylamino)phenyl]methylidene]azanium
CID 21349582
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
2-methyl-N-phenylpentanamide
CID 4627801
N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide
CID 43246501
N-(3-amino-4-ethylphenyl)-2-[butyl(methyl)amino]-3-methylbutanamide
CID 82224974

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2-methylpentanamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2-methylpentanamide (CID 43550225) is N-(3-amino-4-ethylphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2-methylpentanamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(CC)c(N)c1.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2-methylpentanamide?
The InChIKey is RCDACLYZMZPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-10(3)14(17)16-12-8-7-11(5-2)13(15)9-12/h7-10H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-4-ethylphenyl)-2-methylpentanamide?
N-(3-amino-4-ethylphenyl)-2-methylpentanamide has a molecular weight of 234.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2-methylpentanamide is sourced from PubChem (CID 43550225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).