3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide

C21H25ClN2O3 — CID 51220435

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-13-5-10-20(27-4)18(11-13)14(2)23-21(26)12-19(24-15(3)25)16-6-8-17(22)9-7-16/h5-11,14,19H,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyNOWRVPYXANTZIZ-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.10
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 51220435) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
PubChem CID51220435
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-13-5-10-20(27-4)18(11-13)14(2)23-21(26)12-19(24-15(3)25)16-6-8-17(22)9-7-16/h5-11,14,19H,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyNOWRVPYXANTZIZ-UHFFFAOYSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 134053791
2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51276088
4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9262595
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 46448379
3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51195428
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 8768923
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 2530467

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide (CID 51220435) is 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide is COc1ccc(C)cc1C(C)NC(=O)CC(NC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is NOWRVPYXANTZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-13-5-10-20(27-4)18(11-13)14(2)23-21(26)12-19(24-15(3)25)16-6-8-17(22)9-7-16/h5-11,14,19H,12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 388.90 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 51220435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).