3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride

C15H23Cl2N3O2 — CID 119432712

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)CC(NC(C)=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-11(20)19-14(12-4-6-13(16)7-5-12)10-15(21)18-9-3-8-17-2;/h4-7,14,17H,3,8-10H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyZIDWPDFTDACNFY-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.05
Rot. Bonds8

About 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride

3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 119432712) has the molecular formula C15H23Cl2N3O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
PubChem CID119432712
Molecular FormulaC15H23Cl2N3O2
Molecular Weight348.27 g/mol
Exact Mass347.12
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)CC(NC(C)=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-11(20)19-14(12-4-6-13(16)7-5-12)10-15(21)18-9-3-8-17-2;/h4-7,14,17H,3,8-10H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyZIDWPDFTDACNFY-UHFFFAOYSA-N
XLogP2.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
CID 51256293
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119429689
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119429690
3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
CID 134021990
3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430545
3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55717805
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
CID 119587703
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride (CID 119432712) is 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride is CNCCCNC(=O)CC(NC(C)=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is ZIDWPDFTDACNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2.ClH/c1-11(20)19-14(12-4-6-13(16)7-5-12)10-15(21)18-9-3-8-17-2;/h4-7,14,17H,3,8-10H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 348.27 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119432712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).