4-(aminomethyl)-5-methyl-N-phenylhexanamide

C14H22N2O — CID 112515533

IUPAC4-(aminomethyl)-5-methyl-N-phenylhexanamide
SMILESCC(C)C(CN)CCC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)12(10-15)8-9-14(17)16-13-6-4-3-5-7-13/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyZRRROQMHWUYLLW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.64
Rot. Bonds6

About 4-(aminomethyl)-5-methyl-N-phenylhexanamide

4-(aminomethyl)-5-methyl-N-phenylhexanamide (PubChem CID 112515533) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-N-phenylhexanamide.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-N-phenylhexanamide
PubChem CID112515533
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(aminomethyl)-5-methyl-N-phenylhexanamide
SMILESCC(C)C(CN)CCC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)12(10-15)8-9-14(17)16-13-6-4-3-5-7-13/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyZRRROQMHWUYLLW-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
3-fluoro-N-phenylpropanamide
CID 70366284
N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280
4-amino-N-phenyldodecanamide
CID 154099763
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
N-phenyl-3-propan-2-ylsulfanylpropanamide
CID 163921680
4-[(5-amino-4-methylpentanoyl)amino]benzoic acid
CID 82011492
5,5-dibromo-N-phenylpentanamide
CID 174352057
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
4,5-diamino-N-(4-phenoxyphenyl)pentanamide
CID 74349728

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-N-phenylhexanamide?
The IUPAC name of 4-(aminomethyl)-5-methyl-N-phenylhexanamide (CID 112515533) is 4-(aminomethyl)-5-methyl-N-phenylhexanamide.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-N-phenylhexanamide?
The canonical SMILES for 4-(aminomethyl)-5-methyl-N-phenylhexanamide is CC(C)C(CN)CCC(=O)Nc1ccccc1.
What is the InChIKey of 4-(aminomethyl)-5-methyl-N-phenylhexanamide?
The InChIKey is ZRRROQMHWUYLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)12(10-15)8-9-14(17)16-13-6-4-3-5-7-13/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-5-methyl-N-phenylhexanamide?
4-(aminomethyl)-5-methyl-N-phenylhexanamide has a molecular weight of 234.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-methyl-N-phenylhexanamide is sourced from PubChem (CID 112515533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).