N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide

C15H22ClN3O2 — CID 8816054

IUPACN-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCC(C)N(C)C(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-11(2)19(4)15(21)10-18(3)9-14(20)17-13-7-5-12(16)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,17,20)
InChIKeyMCKMBNDYHUVUJH-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.08
Rot. Bonds6

About N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide

N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 8816054) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
PubChem CID8816054
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCC(C)N(C)C(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-11(2)19(4)15(21)10-18(3)9-14(20)17-13-7-5-12(16)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,17,20)
InChIKeyMCKMBNDYHUVUJH-UHFFFAOYSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
CID 9167444
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
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide
CID 96540406
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17449089
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide (CID 8816054) is N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide is CC(C)N(C)C(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide?
The InChIKey is MCKMBNDYHUVUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11(2)19(4)15(21)10-18(3)9-14(20)17-13-7-5-12(16)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide?
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 311.81 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 8816054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).