2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide

C28H34N2O2 — CID 132669053

IUPAC2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C28H34N2O2/c1-4-19-29-28(32)26(5-2)30(20-24-13-7-6-11-21(24)3)27(31)18-17-23-15-10-14-22-12-8-9-16-25(22)23/h6-16,26H,4-5,17-20H2,1-3H3,(H,29,32)
InChIKeyNOIRLIFGFZIKSI-UHFFFAOYSA-N
MW430.59 g/mol
LogP5.41
Rot. Bonds10

About 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide

2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide (PubChem CID 132669053) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
PubChem CID132669053
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C28H34N2O2/c1-4-19-29-28(32)26(5-2)30(20-24-13-7-6-11-21(24)3)27(31)18-17-23-15-10-14-22-12-8-9-16-25(22)23/h6-16,26H,4-5,17-20H2,1-3H3,(H,29,32)
InChIKeyNOIRLIFGFZIKSI-UHFFFAOYSA-N
XLogP5.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100589316
(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 100637571
(2S)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100595884
(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100548461
(2R)-N-[(2S)-butan-2-yl]-2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100531489
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132672115
(2S)-2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549449
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide
CID 132709520
2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide
CID 132943358
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549818
(2R)-2-[3-benzylsulfanylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100548401
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100547987

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide?
The IUPAC name of 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide (CID 132669053) is 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide?
The canonical SMILES for 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide is CCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide?
The InChIKey is NOIRLIFGFZIKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-4-19-29-28(32)26(5-2)30(20-24-13-7-6-11-21(24)3)27(31)18-17-23-15-10-14-22-12-8-9-16-25(22)23/h6-16,26H,4-5,17-20H2,1-3H3,(H,29,32).
What are the key properties of 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide?
2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide has a molecular weight of 430.59 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide is sourced from PubChem (CID 132669053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).