2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide

C18H21NO4 — CID 842039

IUPAC2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc([C@H](C)NC(=O)c2cccc(OC)c2OC)c1
InChIInChI=1S/C18H21NO4/c1-12(13-7-5-8-14(11-13)21-2)19-18(20)15-9-6-10-16(22-3)17(15)23-4/h5-12H,1-4H3,(H,19,20)/t12-/m0/s1
InChIKeyKKQYYXQXJGQKEG-LBPRGKRZSA-N
MW315.37 g/mol
LogP3.20
Rot. Bonds6

About 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide

2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 842039) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID842039
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc([C@H](C)NC(=O)c2cccc(OC)c2OC)c1
InChIInChI=1S/C18H21NO4/c1-12(13-7-5-8-14(11-13)21-2)19-18(20)15-9-6-10-16(22-3)17(15)23-4/h5-12H,1-4H3,(H,19,20)/t12-/m0/s1
InChIKeyKKQYYXQXJGQKEG-LBPRGKRZSA-N
XLogP3.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 95181228
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 50929753
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
[3-methoxy-4-[1-(3-methoxyphenyl)ethylcarbamoyl]phenyl]boronic acid
CID 123598238
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 46598814
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide (CID 842039) is 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc([C@H](C)NC(=O)c2cccc(OC)c2OC)c1.
What is the InChIKey of 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is KKQYYXQXJGQKEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12(13-7-5-8-14(11-13)21-2)19-18(20)15-9-6-10-16(22-3)17(15)23-4/h5-12H,1-4H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide?
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 842039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).