N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide

C22H25ClN2O2 — CID 143884038

IUPACN'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide
SMILESC=CCC(CC(=O)NCc1ccc(Cl)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H25ClN2O2/c1-2-6-19(22(27)24-14-13-17-7-4-3-5-8-17)15-21(26)25-16-18-9-11-20(23)12-10-18/h2-5,7-12,19H,1,6,13-16H2,(H,24,27)(H,25,26)
InChIKeyFGVJHZGPYNJCEH-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.90
Rot. Bonds10

About N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide

N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide (PubChem CID 143884038) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide
PubChem CID143884038
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide
SMILESC=CCC(CC(=O)NCc1ccc(Cl)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H25ClN2O2/c1-2-6-19(22(27)24-14-13-17-7-4-3-5-8-17)15-21(26)25-16-18-9-11-20(23)12-10-18/h2-5,7-12,19H,1,6,13-16H2,(H,24,27)(H,25,26)
InChIKeyFGVJHZGPYNJCEH-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylcarbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 55544274
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
4-[2-(4-chlorophenyl)ethylamino]-2-methyl-4-oxobutanoic acid
CID 115165161
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
(2R)-4-(benzylamino)-2-[(4-bromophenyl)methyl]-4-oxobutanoic acid
CID 1112955
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide (CID 143884038) is N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide is C=CCC(CC(=O)NCc1ccc(Cl)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide?
The InChIKey is FGVJHZGPYNJCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-2-6-19(22(27)24-14-13-17-7-4-3-5-8-17)15-21(26)25-16-18-9-11-20(23)12-10-18/h2-5,7-12,19H,1,6,13-16H2,(H,24,27)(H,25,26).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide?
N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide has a molecular weight of 384.91 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-2-prop-2-enylbutanediamide is sourced from PubChem (CID 143884038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).