5-amino-N-[1-(4-methylphenyl)propyl]hexanamide

C16H26N2O — CID 82848237

IUPAC5-amino-N-[1-(4-methylphenyl)propyl]hexanamide
SMILESCCC(NC(=O)CCCC(C)N)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-4-15(14-10-8-12(2)9-11-14)18-16(19)7-5-6-13(3)17/h8-11,13,15H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyXPXBHUZJQFYRBW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.08
Rot. Bonds7

About 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide

5-amino-N-[1-(4-methylphenyl)propyl]hexanamide (PubChem CID 82848237) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[1-(4-methylphenyl)propyl]hexanamide
PubChem CID82848237
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-amino-N-[1-(4-methylphenyl)propyl]hexanamide
SMILESCCC(NC(=O)CCCC(C)N)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-4-15(14-10-8-12(2)9-11-14)18-16(19)7-5-6-13(3)17/h8-11,13,15H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyXPXBHUZJQFYRBW-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
5-amino-N-pentan-3-ylhexanamide
CID 82848944
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 78912710
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 100549740

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide?
The IUPAC name of 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide (CID 82848237) is 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide.
What is the SMILES notation for 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide?
The canonical SMILES for 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide is CCC(NC(=O)CCCC(C)N)c1ccc(C)cc1.
What is the InChIKey of 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide?
The InChIKey is XPXBHUZJQFYRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-15(14-10-8-12(2)9-11-14)18-16(19)7-5-6-13(3)17/h8-11,13,15H,4-7,17H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide?
5-amino-N-[1-(4-methylphenyl)propyl]hexanamide has a molecular weight of 262.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(4-methylphenyl)propyl]hexanamide is sourced from PubChem (CID 82848237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).