3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide

C21H27N3O3 — CID 96543997

IUPAC3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H27N3O3/c1-13-6-7-16(10-14(13)2)15(3)24-20(25)12-23-18-11-17(21(26)22-4)8-9-19(18)27-5/h6-11,15,23H,12H2,1-5H3,(H,22,26)(H,24,25)/t15-/m0/s1
InChIKeyUGXBADWMTIYPHQ-HNNXBMFYSA-N
MW369.47 g/mol
LogP2.96
Rot. Bonds7

About 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide

3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide (PubChem CID 96543997) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
PubChem CID96543997
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H27N3O3/c1-13-6-7-16(10-14(13)2)15(3)24-20(25)12-23-18-11-17(21(26)22-4)8-9-19(18)27-5/h6-11,15,23H,12H2,1-5H3,(H,22,26)(H,24,25)/t15-/m0/s1
InChIKeyUGXBADWMTIYPHQ-HNNXBMFYSA-N
XLogP2.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide with MolForge

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Related Compounds

4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide
CID 87029422
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
CID 133187560
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54814140
4-[[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124829
2-(2,6-dimethoxyphenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 46697439
methyl 3-[[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-4-methylbenzoate
CID 32901512
3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
CID 87029453
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide (CID 96543997) is 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(NCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide?
The InChIKey is UGXBADWMTIYPHQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13-6-7-16(10-14(13)2)15(3)24-20(25)12-23-18-11-17(21(26)22-4)8-9-19(18)27-5/h6-11,15,23H,12H2,1-5H3,(H,22,26)(H,24,25)/t15-/m0/s1.
What are the key properties of 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide?
3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 96543997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).