2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide

C16H23ClN2O3 — CID 133149381

IUPAC2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCCOC
InChIInChI=1S/C16H23ClN2O3/c1-4-15(20)19(11-13-5-7-14(17)8-6-13)12(2)16(21)18-9-10-22-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyLFLAYMVSQCQKLI-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.23
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide

2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 133149381) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
PubChem CID133149381
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCCOC
InChIInChI=1S/C16H23ClN2O3/c1-4-15(20)19(11-13-5-7-14(17)8-6-13)12(2)16(21)18-9-10-22-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyLFLAYMVSQCQKLI-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
CID 133213000
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 133213651
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133237587
2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132650421
(2R)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-propanoylamino]propanamide
CID 100566703
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
CID 133149261
N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
CID 133149410
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
CID 132700111
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213649
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237646

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide (CID 133149381) is 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide is CCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCCOC.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is LFLAYMVSQCQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-4-15(20)19(11-13-5-7-14(17)8-6-13)12(2)16(21)18-9-10-22-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide?
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 326.82 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 133149381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).