4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide

C20H26N2O — CID 54303561

IUPAC4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CCC(N)Cc2ccccc2C)cc1C
InChIInChI=1S/C20H26N2O/c1-14-8-10-19(12-16(14)3)22-20(23)11-9-18(21)13-17-7-5-4-6-15(17)2/h4-8,10,12,18H,9,11,13,21H2,1-3H3,(H,22,23)
InChIKeySFXILYKSRCFMTL-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.90
Rot. Bonds6

About 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide

4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide (PubChem CID 54303561) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide
PubChem CID54303561
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CCC(N)Cc2ccccc2C)cc1C
InChIInChI=1S/C20H26N2O/c1-14-8-10-19(12-16(14)3)22-20(23)11-9-18(21)13-17-7-5-4-6-15(17)2/h4-8,10,12,18H,9,11,13,21H2,1-3H3,(H,22,23)
InChIKeySFXILYKSRCFMTL-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide?
The IUPAC name of 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide (CID 54303561) is 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide.
What is the SMILES notation for 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide?
The canonical SMILES for 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide is Cc1ccc(NC(=O)CCC(N)Cc2ccccc2C)cc1C.
What is the InChIKey of 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide?
The InChIKey is SFXILYKSRCFMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14-8-10-19(12-16(14)3)22-20(23)11-9-18(21)13-17-7-5-4-6-15(17)2/h4-8,10,12,18H,9,11,13,21H2,1-3H3,(H,22,23).
What are the key properties of 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide?
4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide has a molecular weight of 310.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide is sourced from PubChem (CID 54303561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).