N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide

C21H35NO — CID 71106903

IUPACN-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(Cc1cccc(C)c1)C(=O)CCC
InChIInChI=1S/C21H35NO/c1-5-8-14-20(15-9-6-2)22(21(23)11-7-3)17-19-13-10-12-18(4)16-19/h10,12-13,16,20H,5-9,11,14-15,17H2,1-4H3
InChIKeyUEMPMISPQISGKI-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.87
Rot. Bonds11

About N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide

N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide (PubChem CID 71106903) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide
PubChem CID71106903
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC NameN-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(Cc1cccc(C)c1)C(=O)CCC
InChIInChI=1S/C21H35NO/c1-5-8-14-20(15-9-6-2)22(21(23)11-7-3)17-19-13-10-12-18(4)16-19/h10,12-13,16,20H,5-9,11,14-15,17H2,1-4H3
InChIKeyUEMPMISPQISGKI-UHFFFAOYSA-N
XLogP5.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide
CID 71106725
N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71106716
N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71107037
(2R)-N-butyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 100598179
1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
CID 62042480
(2S)-N-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100598428
N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132704474
N-butyl-2-[3-(2-chlorophenyl)propanoyl-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133153363
N-butyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133153346
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
(2R)-N-butyl-2-[(3-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 100557922
N-butyl-2-[4-(4-chlorophenoxy)butanoyl-[(3-methylphenyl)methyl]amino]butanamide
CID 132719336

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide (CID 71106903) is N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide is CCCCC(CCCC)N(Cc1cccc(C)c1)C(=O)CCC.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide?
The InChIKey is UEMPMISPQISGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-5-8-14-20(15-9-6-2)22(21(23)11-7-3)17-19-13-10-12-18(4)16-19/h10,12-13,16,20H,5-9,11,14-15,17H2,1-4H3.
What are the key properties of N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide?
N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide has a molecular weight of 317.52 g/mol, XLogP of 5.87, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide is sourced from PubChem (CID 71106903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).