2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide

C16H23ClN4O3 — CID 8816242

IUPAC2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN4O3/c1-3-8-18-14(22)9-19-15(23)10-21(2)11-16(24)20-13-6-4-12(17)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyRBXFLNUAQHKGQP-UHFFFAOYSA-N
MW354.84 g/mol
LogP0.85
Rot. Bonds9

About 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide

2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide (PubChem CID 8816242) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
PubChem CID8816242
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC Name2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN4O3/c1-3-8-18-14(22)9-19-15(23)10-21(2)11-16(24)20-13-6-4-12(17)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyRBXFLNUAQHKGQP-UHFFFAOYSA-N
XLogP0.85
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302973
2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide
CID 9163333
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
CID 9302751
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
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-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
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 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide (CID 8816242) is 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide?
The InChIKey is RBXFLNUAQHKGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O3/c1-3-8-18-14(22)9-19-15(23)10-21(2)11-16(24)20-13-6-4-12(17)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide?
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide has a molecular weight of 354.84 g/mol, XLogP of 0.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 8816242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).