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

C16H24ClN3O2 — CID 17468364

IUPAC2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
SMILESCNC(=O)C(c1ccc(Cl)cc1)N(C)CC(=O)NCC(C)C
InChIInChI=1S/C16H24ClN3O2/c1-11(2)9-19-14(21)10-20(4)15(16(22)18-3)12-5-7-13(17)8-6-12/h5-8,11,15H,9-10H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyXZVFOEZFAJKEJR-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.83
Rot. Bonds7

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

2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide (PubChem CID 17468364) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
PubChem CID17468364
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
SMILESCNC(=O)C(c1ccc(Cl)cc1)N(C)CC(=O)NCC(C)C
InChIInChI=1S/C16H24ClN3O2/c1-11(2)9-19-14(21)10-20(4)15(16(22)18-3)12-5-7-13(17)8-6-12/h5-8,11,15H,9-10H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyXZVFOEZFAJKEJR-UHFFFAOYSA-N
XLogP1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 17460115
(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 40843057
2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid
CID 60834961
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914743
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 3969354
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide (CID 17468364) is 2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide is CNC(=O)C(c1ccc(Cl)cc1)N(C)CC(=O)NCC(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is XZVFOEZFAJKEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-11(2)9-19-14(21)10-20(4)15(16(22)18-3)12-5-7-13(17)8-6-12/h5-8,11,15H,9-10H2,1-4H3,(H,18,22)(H,19,21).
What are the key properties of 2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide?
2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 325.84 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 17468364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).