2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide

C17H28N2O — CID 119779245

IUPAC2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)Cc1ccc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-6-12(3)16(18)17(20)19-14(5)10-15-8-7-11(2)9-13(15)4/h7-9,12,14,16H,6,10,18H2,1-5H3,(H,19,20)
InChIKeyMZMPAEASZGQLPZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.72
Rot. Bonds6

About 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide

2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide (PubChem CID 119779245) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide
PubChem CID119779245
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)Cc1ccc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-6-12(3)16(18)17(20)19-14(5)10-15-8-7-11(2)9-13(15)4/h7-9,12,14,16H,6,10,18H2,1-5H3,(H,19,20)
InChIKeyMZMPAEASZGQLPZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
methyl 2-[(2,4-dimethylphenyl)methyl]butanoate
CID 116931270
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235
1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
CID 164636835
2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
CID 62083291

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide (CID 119779245) is 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide is CCC(C)C(N)C(=O)NC(C)Cc1ccc(C)cc1C.
What is the InChIKey of 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide?
The InChIKey is MZMPAEASZGQLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-12(3)16(18)17(20)19-14(5)10-15-8-7-11(2)9-13(15)4/h7-9,12,14,16H,6,10,18H2,1-5H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide?
2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide has a molecular weight of 276.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 119779245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).