(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide

C22H28N2O3 — CID 40812809

IUPAC(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-5-16-8-7-9-17(6-2)22(16)24-21(26)14-20(23-15(3)25)18-10-12-19(27-4)13-11-18/h7-13,20H,5-6,14H2,1-4H3,(H,23,25)(H,24,26)/t20-/m0/s1
InChIKeyWHMZNBPSJQOTCD-FQEVSTJZSA-N
MW368.48 g/mol
LogP4.03
Rot. Bonds8

About (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide

(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 40812809) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID40812809
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-5-16-8-7-9-17(6-2)22(16)24-21(26)14-20(23-15(3)25)18-10-12-19(27-4)13-11-18/h7-13,20H,5-6,14H2,1-4H3,(H,23,25)(H,24,26)/t20-/m0/s1
InChIKeyWHMZNBPSJQOTCD-FQEVSTJZSA-N
XLogP4.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
3-acetamido-3-(4-methoxyphenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 55672203
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 86906508
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
(3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 29482131

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide (CID 40812809) is (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide is CCc1cccc(CC)c1NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1.
What is the InChIKey of (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is WHMZNBPSJQOTCD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-16-8-7-9-17(6-2)22(16)24-21(26)14-20(23-15(3)25)18-10-12-19(27-4)13-11-18/h7-13,20H,5-6,14H2,1-4H3,(H,23,25)(H,24,26)/t20-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide?
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 40812809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).