2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide

C14H23N3O — CID 113297671

IUPAC2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C14H23N3O/c1-5-6-12(15)14(18)16-11-8-7-10(2)13(9-11)17(3)4/h7-9,12H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyKPUHXMRMRKJARW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.13
Rot. Bonds5

About 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide

2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide (PubChem CID 113297671) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
PubChem CID113297671
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C14H23N3O/c1-5-6-12(15)14(18)16-11-8-7-10(2)13(9-11)17(3)4/h7-9,12H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyKPUHXMRMRKJARW-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119321729
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
2-[3-(dimethylamino)-4-methylanilino]butanamide
CID 113297760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide (CID 113297671) is 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide is CCCC(N)C(=O)Nc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide?
The InChIKey is KPUHXMRMRKJARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-6-12(15)14(18)16-11-8-7-10(2)13(9-11)17(3)4/h7-9,12H,5-6,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide?
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide has a molecular weight of 249.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide is sourced from PubChem (CID 113297671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).