3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide

C14H18ClN3O3 — CID 134045689

IUPAC3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NC(C)C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O3/c1-8(14(16)21)17-13(20)7-12(18-9(2)19)10-3-5-11(15)6-4-10/h3-6,8,12H,7H2,1-2H3,(H2,16,21)(H,17,20)(H,18,19)
InChIKeyVATLWRBFKNEBGD-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.90
Rot. Bonds6

About 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide

3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide (PubChem CID 134045689) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
PubChem CID134045689
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NC(C)C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O3/c1-8(14(16)21)17-13(20)7-12(18-9(2)19)10-3-5-11(15)6-4-10/h3-6,8,12H,7H2,1-2H3,(H2,16,21)(H,17,20)(H,18,19)
InChIKeyVATLWRBFKNEBGD-UHFFFAOYSA-N
XLogP0.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
CID 119587703
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 39964074
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 33275005
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51220435
3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 119574769

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide?
The IUPAC name of 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide (CID 134045689) is 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide is CC(=O)NC(CC(=O)NC(C)C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide?
The InChIKey is VATLWRBFKNEBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-8(14(16)21)17-13(20)7-12(18-9(2)19)10-3-5-11(15)6-4-10/h3-6,8,12H,7H2,1-2H3,(H2,16,21)(H,17,20)(H,18,19).
What are the key properties of 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide?
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide has a molecular weight of 311.77 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide is sourced from PubChem (CID 134045689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).