3-amino-2-methyl-N-(4-pentylphenyl)propanamide

C15H24N2O — CID 62670377

IUPAC3-amino-2-methyl-N-(4-pentylphenyl)propanamide
SMILESCCCCCc1ccc(NC(=O)C(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(18)12(2)11-16/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18)
InChIKeyNYPLLNGFAVJIAI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds7

About 3-amino-2-methyl-N-(4-pentylphenyl)propanamide

3-amino-2-methyl-N-(4-pentylphenyl)propanamide (PubChem CID 62670377) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(4-pentylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(4-pentylphenyl)propanamide
PubChem CID62670377
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-2-methyl-N-(4-pentylphenyl)propanamide
SMILESCCCCCc1ccc(NC(=O)C(C)CN)cc1
InChIInChI=1S/C15H24N2O/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(18)12(2)11-16/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18)
InChIKeyNYPLLNGFAVJIAI-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 70668692
(2S,3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 45483299
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203
(2R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45254608
2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45483181
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N'-(4-dodecylphenyl)oxamide
CID 118096540
4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
CID 62669470
2-amino-N-(4-propylphenyl)propanamide
CID 43378686

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(4-pentylphenyl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(4-pentylphenyl)propanamide (CID 62670377) is 3-amino-2-methyl-N-(4-pentylphenyl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(4-pentylphenyl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(4-pentylphenyl)propanamide is CCCCCc1ccc(NC(=O)C(C)CN)cc1.
What is the InChIKey of 3-amino-2-methyl-N-(4-pentylphenyl)propanamide?
The InChIKey is NYPLLNGFAVJIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(18)12(2)11-16/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-(4-pentylphenyl)propanamide?
3-amino-2-methyl-N-(4-pentylphenyl)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(4-pentylphenyl)propanamide is sourced from PubChem (CID 62670377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).