N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide

C20H23ClN2O2 — CID 2450018

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-2-23(20(25)13-10-16-6-4-3-5-7-16)15-19(24)22-14-17-8-11-18(21)12-9-17/h3-9,11-12H,2,10,13-15H2,1H3,(H,22,24)
InChIKeyDGDQZRDHSOJQQC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.44
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide (PubChem CID 2450018) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
PubChem CID2450018
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-2-23(20(25)13-10-16-6-4-3-5-7-16)15-19(24)22-14-17-8-11-18(21)12-9-17/h3-9,11-12H,2,10,13-15H2,1H3,(H,22,24)
InChIKeyDGDQZRDHSOJQQC-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide
CID 16552654
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
3-(4-chlorophenyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 38803115
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 26266197
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-ethylacetamide
CID 18079819
2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205856
N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 27821642
3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61107025
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 16552641
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 18113039
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide (CID 2450018) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide?
The InChIKey is DGDQZRDHSOJQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-2-23(20(25)13-10-16-6-4-3-5-7-16)15-19(24)22-14-17-8-11-18(21)12-9-17/h3-9,11-12H,2,10,13-15H2,1H3,(H,22,24).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide has a molecular weight of 358.87 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 2450018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).