N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide

C16H24ClN3O2 — CID 9167444

IUPACN-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
SMILESCCC(CC)NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O2/c1-4-13(5-2)18-15(21)10-20(3)11-16(22)19-14-8-6-12(17)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPOGMIJSQMZHKAK-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.52
Rot. Bonds8

About N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide

N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide (PubChem CID 9167444) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
PubChem CID9167444
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
SMILESCCC(CC)NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O2/c1-4-13(5-2)18-15(21)10-20(3)11-16(22)19-14-8-6-12(17)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPOGMIJSQMZHKAK-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 8816582
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
CID 8816242
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide
CID 96540406
N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9348108

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide (CID 9167444) is N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide is CCC(CC)NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide?
The InChIKey is POGMIJSQMZHKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-4-13(5-2)18-15(21)10-20(3)11-16(22)19-14-8-6-12(17)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide?
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide has a molecular weight of 325.84 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 9167444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).