2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide

C20H26N2O2 — CID 119318002

IUPAC2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C
InChIInChI=1S/C20H26N2O2/c1-4-6-18(21)20(23)22-19-10-9-17(12-15(19)3)24-13-16-8-5-7-14(2)11-16/h5,7-12,18H,4,6,13,21H2,1-3H3,(H,22,23)
InChIKeyFAQXQCMCVCSSCL-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.95
Rot. Bonds7

About 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide

2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide (PubChem CID 119318002) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
PubChem CID119318002
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C
InChIInChI=1S/C20H26N2O2/c1-4-6-18(21)20(23)22-19-10-9-17(12-15(19)3)24-13-16-8-5-7-14(2)11-16/h5,7-12,18H,4,6,13,21H2,1-3H3,(H,22,23)
InChIKeyFAQXQCMCVCSSCL-UHFFFAOYSA-N
XLogP3.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide?
The IUPAC name of 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide (CID 119318002) is 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide is CCCC(N)C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C.
What is the InChIKey of 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide?
The InChIKey is FAQXQCMCVCSSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-6-18(21)20(23)22-19-10-9-17(12-15(19)3)24-13-16-8-5-7-14(2)11-16/h5,7-12,18H,4,6,13,21H2,1-3H3,(H,22,23).
What are the key properties of 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide?
2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide has a molecular weight of 326.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide is sourced from PubChem (CID 119318002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).