N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide

C31H32N2O5 — CID 30384438

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C31H32N2O5/c1-4-27(38-24-15-14-22-9-5-6-10-23(22)20-24)31(35)33-26-12-8-7-11-25(26)30(34)32-18-17-21-13-16-28(36-2)29(19-21)37-3/h5-16,19-20,27H,4,17-18H2,1-3H3,(H,32,34)(H,33,35)/t27-/m0/s1
InChIKeyWQOYCGCOXRSIKD-MHZLTWQESA-N
MW512.61 g/mol
LogP5.63
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide (PubChem CID 30384438) has the molecular formula C31H32N2O5 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
PubChem CID30384438
Molecular FormulaC31H32N2O5
Molecular Weight512.61 g/mol
Exact Mass512.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C31H32N2O5/c1-4-27(38-24-15-14-22-9-5-6-10-23(22)20-24)31(35)33-26-12-8-7-11-25(26)30(34)32-18-17-21-13-16-28(36-2)29(19-21)37-3/h5-16,19-20,27H,4,17-18H2,1-3H3,(H,32,34)(H,33,35)/t27-/m0/s1
InChIKeyWQOYCGCOXRSIKD-MHZLTWQESA-N
XLogP5.63
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 92680845
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 99953693
N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide
CID 43909098
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-phenylethyl)benzamide
CID 94018440
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 38009756
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 21367574
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide
CID 100761484
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide (CID 30384438) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide?
The InChIKey is WQOYCGCOXRSIKD-MHZLTWQESA-N. The full InChI is InChI=1S/C31H32N2O5/c1-4-27(38-24-15-14-22-9-5-6-10-23(22)20-24)31(35)33-26-12-8-7-11-25(26)30(34)32-18-17-21-13-16-28(36-2)29(19-21)37-3/h5-16,19-20,27H,4,17-18H2,1-3H3,(H,32,34)(H,33,35)/t27-/m0/s1.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide has a molecular weight of 512.61 g/mol, XLogP of 5.63, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide is sourced from PubChem (CID 30384438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).