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

C17H25Cl2N3O2 — CID 119574768

IUPAC3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC(C)(CN)C1CC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11(22)20-15(12-3-7-14(18)8-4-12)9-16(23)21-17(2,10-19)13-5-6-13;/h3-4,7-8,13,15H,5-6,9-10,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyLMDNIBRVNOYGFI-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.57
Rot. Bonds7

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

3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride (PubChem CID 119574768) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
PubChem CID119574768
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC(C)(CN)C1CC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11(22)20-15(12-3-7-14(18)8-4-12)9-16(23)21-17(2,10-19)13-5-6-13;/h3-4,7-8,13,15H,5-6,9-10,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyLMDNIBRVNOYGFI-UHFFFAOYSA-N
XLogP2.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 119574769
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119524471
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
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683
3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119571395
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
3-(4-chlorophenyl)-3-[[4-(2-hydroxypropan-2-yl)cyclohexanecarbonyl]amino]propanoic acid
CID 167769900
3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 119598759
3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120946780

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride (CID 119574768) is 3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride is CC(=O)NC(CC(=O)NC(C)(CN)C1CC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride?
The InChIKey is LMDNIBRVNOYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c1-11(22)20-15(12-3-7-14(18)8-4-12)9-16(23)21-17(2,10-19)13-5-6-13;/h3-4,7-8,13,15H,5-6,9-10,19H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride?
3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 2.57, 7 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-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119574768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).