3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide

C16H23ClN2O3 — CID 113117098

IUPAC3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESCOCCCN(CCC(=O)NCc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C16H23ClN2O3/c1-13(20)19(9-3-11-22-2)10-8-16(21)18-12-14-4-6-15(17)7-5-14/h4-7H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyFAZVJIILRNOFRO-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.23
Rot. Bonds9

About 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide

3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 113117098) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID113117098
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESCOCCCN(CCC(=O)NCc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C16H23ClN2O3/c1-13(20)19(9-3-11-22-2)10-8-16(21)18-12-14-4-6-15(17)7-5-14/h4-7H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyFAZVJIILRNOFRO-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(3-methoxypropyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113117101
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113115145
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122219
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920
methyl 4-[(4-chlorophenyl)methylamino]-4-oxobutanoate
CID 94691458
2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113160021
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113159818

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide (CID 113117098) is 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide is COCCCN(CCC(=O)NCc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is FAZVJIILRNOFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-13(20)19(9-3-11-22-2)10-8-16(21)18-12-14-4-6-15(17)7-5-14/h4-7H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide?
3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 326.82 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113117098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).