2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

C15H22N4O2 — CID 43574823

IUPAC2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCc1cc(N)ccc1NC(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C15H22N4O2/c1-10-7-11(16)3-6-13(10)18-15(21)9-19(2)8-14(20)17-12-4-5-12/h3,6-7,12H,4-5,8-9,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySQWHPKOJHNQHLJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.73
Rot. Bonds6

About 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 43574823) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
PubChem CID43574823
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCc1cc(N)ccc1NC(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C15H22N4O2/c1-10-7-11(16)3-6-13(10)18-15(21)9-19(2)8-14(20)17-12-4-5-12/h3,6-7,12H,4-5,8-9,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySQWHPKOJHNQHLJ-UHFFFAOYSA-N
XLogP0.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
1-(4-amino-2-methylphenyl)-3-cyclopropylurea
CID 62698146
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 8790519
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63727269
N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63878531
N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide
CID 9053773
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 81117715
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
CID 108941058

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (CID 43574823) is 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is Cc1cc(N)ccc1NC(=O)CN(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is SQWHPKOJHNQHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-7-11(16)3-6-13(10)18-15(21)9-19(2)8-14(20)17-12-4-5-12/h3,6-7,12H,4-5,8-9,16H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 290.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43574823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).