N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide

C16H23N3O2 — CID 17457194

IUPACN-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(NC(=O)CN(C)C(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-4-6-13(7-5-11)17-15(20)10-19(3)12(2)16(21)18-14-8-9-14/h4-7,12,14H,8-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyBAHSBIMXSMYNLM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.53
Rot. Bonds6

About N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide

N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 17457194) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
PubChem CID17457194
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(NC(=O)CN(C)C(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-4-6-13(7-5-11)17-15(20)10-19(3)12(2)16(21)18-14-8-9-14/h4-7,12,14H,8-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyBAHSBIMXSMYNLM-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 18196271
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 86918815
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 8676303
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42912128
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9053195
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 18196276
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide (CID 17457194) is N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide is Cc1ccc(NC(=O)CN(C)C(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is BAHSBIMXSMYNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-4-6-13(7-5-11)17-15(20)10-19(3)12(2)16(21)18-14-8-9-14/h4-7,12,14H,8-10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide?
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 17457194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).