(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide

C20H25ClN2O3 — CID 9461268

IUPAC(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
SMILESCOc1ccc(CCN(C)[C@H](C)C(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-14(20(24)22-17-8-6-5-7-16(17)21)23(2)12-11-15-9-10-18(25-3)19(13-15)26-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)/t14-/m1/s1
InChIKeyYYESWGYDYYKNQN-CQSZACIVSA-N
MW376.88 g/mol
LogP3.86
Rot. Bonds8

About (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide

(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide (PubChem CID 9461268) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
PubChem CID9461268
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
SMILESCOc1ccc(CCN(C)[C@H](C)C(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-14(20(24)22-17-8-6-5-7-16(17)21)23(2)12-11-15-9-10-18(25-3)19(13-15)26-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)/t14-/m1/s1
InChIKeyYYESWGYDYYKNQN-CQSZACIVSA-N
XLogP3.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 9461387
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461401
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
CID 8681988
(2S)-N-(3-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461290
(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 8681787
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8583899
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 42911487
(2R)-N-(3-chloro-2-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
CID 9494560
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
N-(1-adamantyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 75460448
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide (CID 9461268) is (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide is COc1ccc(CCN(C)[C@H](C)C(=O)Nc2ccccc2Cl)cc1OC.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide?
The InChIKey is YYESWGYDYYKNQN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-14(20(24)22-17-8-6-5-7-16(17)21)23(2)12-11-15-9-10-18(25-3)19(13-15)26-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide?
(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide has a molecular weight of 376.88 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide is sourced from PubChem (CID 9461268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).