2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide

C12H16N2O — CID 43264480

IUPAC2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C12H16N2O/c1-14(11-6-7-11)12(15)8-9-2-4-10(13)5-3-9/h2-5,11H,6-8,13H2,1H3
InChIKeyCFJVIWHVDKMHFS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds3

About 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide

2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide (PubChem CID 43264480) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
PubChem CID43264480
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C12H16N2O/c1-14(11-6-7-11)12(15)8-9-2-4-10(13)5-3-9/h2-5,11H,6-8,13H2,1H3
InChIKeyCFJVIWHVDKMHFS-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
CID 63590526
2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568614
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
2-(4-fluorophenyl)-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79120059
2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 63589266
2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
CID 176515895
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61489511
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026586

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide (CID 43264480) is 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is CFJVIWHVDKMHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(11-6-7-11)12(15)8-9-2-4-10(13)5-3-9/h2-5,11H,6-8,13H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide?
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 204.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 43264480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).