N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide

C14H18N2O2 — CID 62135938

IUPACN-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
SMILESCc1cc(N(C)CC(=O)NC2CC2)ccc1C=O
InChIInChI=1S/C14H18N2O2/c1-10-7-13(6-3-11(10)9-17)16(2)8-14(18)15-12-4-5-12/h3,6-7,9,12H,4-5,8H2,1-2H3,(H,15,18)
InChIKeyYWLZIWLKVMXINJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.52
Rot. Bonds5

About N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide

N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide (PubChem CID 62135938) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
PubChem CID62135938
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
SMILESCc1cc(N(C)CC(=O)NC2CC2)ccc1C=O
InChIInChI=1S/C14H18N2O2/c1-10-7-13(6-3-11(10)9-17)16(2)8-14(18)15-12-4-5-12/h3,6-7,9,12H,4-5,8H2,1-2H3,(H,15,18)
InChIKeyYWLZIWLKVMXINJ-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide
CID 113295386
2-(N-acetyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 113168237
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide
CID 62122234
2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 43577856
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde
CID 55171627
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]phenyl]prop-2-enoic acid
CID 76912209
2-(3,4-difluoro-N-methylanilino)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23026600
2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098177
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide (CID 62135938) is N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide is Cc1cc(N(C)CC(=O)NC2CC2)ccc1C=O.
What is the InChIKey of N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide?
The InChIKey is YWLZIWLKVMXINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-7-13(6-3-11(10)9-17)16(2)8-14(18)15-12-4-5-12/h3,6-7,9,12H,4-5,8H2,1-2H3,(H,15,18).
What are the key properties of N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide?
N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide is sourced from PubChem (CID 62135938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).