2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide

C14H20N2O — CID 43568614

IUPAC2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O/c1-10(12-5-6-12)16(2)14(17)9-11-3-7-13(15)8-4-11/h3-4,7-8,10,12H,5-6,9,15H2,1-2H3
InChIKeyBNBPAIMTNXVJGJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide

2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide (PubChem CID 43568614) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
PubChem CID43568614
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O/c1-10(12-5-6-12)16(2)14(17)9-11-3-7-13(15)8-4-11/h3-4,7-8,10,12H,5-6,9,15H2,1-2H3
InChIKeyBNBPAIMTNXVJGJ-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
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-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568611
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 99703947
2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 60939540
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814364
2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119798084
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide (CID 43568614) is 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide is CC(C1CC1)N(C)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide?
The InChIKey is BNBPAIMTNXVJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(12-5-6-12)16(2)14(17)9-11-3-7-13(15)8-4-11/h3-4,7-8,10,12H,5-6,9,15H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide?
2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide has a molecular weight of 232.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide is sourced from PubChem (CID 43568614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).