2-amino-N-[1-(4-methylphenyl)propyl]propanamide

C13H20N2O — CID 43707472

IUPAC2-amino-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)N)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-4-12(15-13(16)10(3)14)11-7-5-9(2)6-8-11/h5-8,10,12H,4,14H2,1-3H3,(H,15,16)
InChIKeyZFDQJZJEQHKQOD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-N-[1-(4-methylphenyl)propyl]propanamide

2-amino-N-[1-(4-methylphenyl)propyl]propanamide (PubChem CID 43707472) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-methylphenyl)propyl]propanamide
PubChem CID43707472
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)N)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-4-12(15-13(16)10(3)14)11-7-5-9(2)6-8-11/h5-8,10,12H,4,14H2,1-3H3,(H,15,16)
InChIKeyZFDQJZJEQHKQOD-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
CID 43707473
5-amino-N-[1-(4-methylphenyl)propyl]hexanamide
CID 82848237
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
(2R)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92675498
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-amino-N-[1-(4-methylphenyl)propyl]propanamide (CID 43707472) is 2-amino-N-[1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-amino-N-[1-(4-methylphenyl)propyl]propanamide is CCC(NC(=O)C(C)N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-N-[1-(4-methylphenyl)propyl]propanamide?
The InChIKey is ZFDQJZJEQHKQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-12(15-13(16)10(3)14)11-7-5-9(2)6-8-11/h5-8,10,12H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-[1-(4-methylphenyl)propyl]propanamide?
2-amino-N-[1-(4-methylphenyl)propyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 43707472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).