(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide

C20H23ClN2O3 — CID 52516198

IUPAC(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)NC[C@H](O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13-3-5-16(6-4-13)19(25)12-22-20(26)11-18(23-14(2)24)15-7-9-17(21)10-8-15/h3-10,18-19,25H,11-12H2,1-2H3,(H,22,26)(H,23,24)/t18-,19+/m1/s1
InChIKeyMZCSTJTWTAPIDK-MOPGFXCFSA-N
MW374.87 g/mol
LogP3.07
Rot. Bonds7

About (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide

(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide (PubChem CID 52516198) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
PubChem CID52516198
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)NC[C@H](O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13-3-5-16(6-4-13)19(25)12-22-20(26)11-18(23-14(2)24)15-7-9-17(21)10-8-15/h3-10,18-19,25H,11-12H2,1-2H3,(H,22,26)(H,23,24)/t18-,19+/m1/s1
InChIKeyMZCSTJTWTAPIDK-MOPGFXCFSA-N
XLogP3.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide (CID 52516198) is (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide is CC(=O)N[C@H](CC(=O)NC[C@H](O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is MZCSTJTWTAPIDK-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13-3-5-16(6-4-13)19(25)12-22-20(26)11-18(23-14(2)24)15-7-9-17(21)10-8-15/h3-10,18-19,25H,11-12H2,1-2H3,(H,22,26)(H,23,24)/t18-,19+/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide?
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 52516198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).