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

C15H25N3O — CID 115377243

IUPAC2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
SMILESCc1ccc(NC(=O)C(N)CC(C)C)cc1N(C)C
InChIInChI=1S/C15H25N3O/c1-10(2)8-13(16)15(19)17-12-7-6-11(3)14(9-12)18(4)5/h6-7,9-10,13H,8,16H2,1-5H3,(H,17,19)
InChIKeyPVWMUEBINBMFBB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.37
Rot. Bonds5

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

2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide (PubChem CID 115377243) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
PubChem CID115377243
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
SMILESCc1ccc(NC(=O)C(N)CC(C)C)cc1N(C)C
InChIInChI=1S/C15H25N3O/c1-10(2)8-13(16)15(19)17-12-7-6-11(3)14(9-12)18(4)5/h6-7,9-10,13H,8,16H2,1-5H3,(H,17,19)
InChIKeyPVWMUEBINBMFBB-UHFFFAOYSA-N
XLogP2.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 43704239
(2S)-N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-2-amino-4-methylpentanamide
CID 119792493

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide (CID 115377243) is 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide is Cc1ccc(NC(=O)C(N)CC(C)C)cc1N(C)C.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide?
The InChIKey is PVWMUEBINBMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)8-13(16)15(19)17-12-7-6-11(3)14(9-12)18(4)5/h6-7,9-10,13H,8,16H2,1-5H3,(H,17,19).
What are the key properties of 2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide?
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.37, 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]-4-methylpentanamide is sourced from PubChem (CID 115377243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).