2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide

C21H27ClN2O3 — CID 8636912

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C)c(CN(C)C(=O)CN[C@H](C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H27ClN2O3/c1-14-10-19(26-4)20(27-5)11-17(14)13-24(3)21(25)12-23-15(2)16-6-8-18(22)9-7-16/h6-11,15,23H,12-13H2,1-5H3/t15-/m1/s1
InChIKeySQDOIHZLKSVRGG-OAHLLOKOSA-N
MW390.91 g/mol
LogP3.97
Rot. Bonds8

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide (PubChem CID 8636912) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
PubChem CID8636912
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C)c(CN(C)C(=O)CN[C@H](C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H27ClN2O3/c1-14-10-19(26-4)20(27-5)11-17(14)13-24(3)21(25)12-23-15(2)16-6-8-18(22)9-7-16/h6-11,15,23H,12-13H2,1-5H3/t15-/m1/s1
InChIKeySQDOIHZLKSVRGG-OAHLLOKOSA-N
XLogP3.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
CID 112826776
4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
CID 87000731
N-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 87039821
2-(2,5-difluorophenyl)sulfanyl-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 9277264
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9043922
4-chloro-N-[1-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 112772740
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide
CID 113350546
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30621148
[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914243
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 9335310

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide (CID 8636912) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide is COc1cc(C)c(CN(C)C(=O)CN[C@H](C)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide?
The InChIKey is SQDOIHZLKSVRGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-14-10-19(26-4)20(27-5)11-17(14)13-24(3)21(25)12-23-15(2)16-6-8-18(22)9-7-16/h6-11,15,23H,12-13H2,1-5H3/t15-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide has a molecular weight of 390.91 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 8636912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).