N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide

C25H26N2O3 — CID 46323234

IUPACN-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide
SMILESCCC(C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(C)c2)c1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-4-21(18-10-6-5-7-11-18)25(29)26-20-13-14-23(30-3)22(16-20)27-24(28)19-12-8-9-17(2)15-19/h5-16,21H,4H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLSPYTHJQQRWNJD-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.39
Rot. Bonds7

About N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide

N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide (PubChem CID 46323234) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide
PubChem CID46323234
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide
SMILESCCC(C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(C)c2)c1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-4-21(18-10-6-5-7-11-18)25(29)26-20-13-14-23(30-3)22(16-20)27-24(28)19-12-8-9-17(2)15-19/h5-16,21H,4H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLSPYTHJQQRWNJD-UHFFFAOYSA-N
XLogP5.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide
CID 92869374
N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
CID 3495763
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
N-[3-(4-aminobutanoylamino)-4-methoxyphenyl]-3-methylbenzamide
CID 39193798
N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide
CID 9245233
5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 46323224
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
CID 41083072
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
N-[4-methoxy-3-[[(2S)-1-[2-(3-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]amino]phenyl]acetamide
CID 32506683
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide?
The IUPAC name of N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide (CID 46323234) is N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide is CCC(C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(C)c2)c1)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide?
The InChIKey is LSPYTHJQQRWNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-4-21(18-10-6-5-7-11-18)25(29)26-20-13-14-23(30-3)22(16-20)27-24(28)19-12-8-9-17(2)15-19/h5-16,21H,4H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide?
N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide is sourced from PubChem (CID 46323234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).