3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride

C17H27Cl2N3O2 — CID 119587703

IUPAC3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC(CN)CC(C)C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-11(2)8-15(10-19)21-17(23)9-16(20-12(3)22)13-4-6-14(18)7-5-13;/h4-7,11,15-16H,8-10,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyNAYPSDFKMKBSJH-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.82
Rot. Bonds8

About 3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride

3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride (PubChem CID 119587703) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is 3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
PubChem CID119587703
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC Name3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC(CN)CC(C)C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-11(2)8-15(10-19)21-17(23)9-16(20-12(3)22)13-4-6-14(18)7-5-13;/h4-7,11,15-16H,8-10,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyNAYPSDFKMKBSJH-UHFFFAOYSA-N
XLogP2.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 39964074
3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide
CID 119668025
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
CID 119574768
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119586595
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride (CID 119587703) is 3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride is CC(=O)NC(CC(=O)NC(CN)CC(C)C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride?
The InChIKey is NAYPSDFKMKBSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2.ClH/c1-11(2)8-15(10-19)21-17(23)9-16(20-12(3)22)13-4-6-14(18)7-5-13;/h4-7,11,15-16H,8-10,19H2,1-3H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride?
3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride has a molecular weight of 376.33 g/mol, XLogP of 2.82, 8 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-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119587703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).