3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

C18H21NO4 — CID 831207

IUPAC3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H21NO4/c1-12(13-5-8-15(21-2)9-6-13)19-18(20)14-7-10-16(22-3)17(11-14)23-4/h5-12H,1-4H3,(H,19,20)/t12-/m0/s1
InChIKeyCTCZBKZDTMBWME-LBPRGKRZSA-N
MW315.37 g/mol
LogP3.20
Rot. Bonds6

About 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 831207) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID831207
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H21NO4/c1-12(13-5-8-15(21-2)9-6-13)19-18(20)14-7-10-16(22-3)17(11-14)23-4/h5-12H,1-4H3,(H,19,20)/t12-/m0/s1
InChIKeyCTCZBKZDTMBWME-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

3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 831207) is 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is CTCZBKZDTMBWME-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12(13-5-8-15(21-2)9-6-13)19-18(20)14-7-10-16(22-3)17(11-14)23-4/h5-12H,1-4H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
3,4-dimethoxy-N-[(1S)-1-(4-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 3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 831207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).