3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide

C21H26N2O — CID 120608816

IUPAC3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
SMILESCCc1ccc(CN(C(=O)CCc2ccccc2N)C2CC2)cc1
InChIInChI=1S/C21H26N2O/c1-2-16-7-9-17(10-8-16)15-23(19-12-13-19)21(24)14-11-18-5-3-4-6-20(18)22/h3-10,19H,2,11-15,22H2,1H3
InChIKeyVSEOWJFFBCANFE-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.95
Rot. Bonds7

About 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide

3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide (PubChem CID 120608816) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
PubChem CID120608816
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
SMILESCCc1ccc(CN(C(=O)CCc2ccccc2N)C2CC2)cc1
InChIInChI=1S/C21H26N2O/c1-2-16-7-9-17(10-8-16)15-23(19-12-13-19)21(24)14-11-18-5-3-4-6-20(18)22/h3-10,19H,2,11-15,22H2,1H3
InChIKeyVSEOWJFFBCANFE-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 107272972
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
CID 120608805
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride
CID 120610537
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
3-(2-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
CID 120608067
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide (CID 120608816) is 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide is CCc1ccc(CN(C(=O)CCc2ccccc2N)C2CC2)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide?
The InChIKey is VSEOWJFFBCANFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-16-7-9-17(10-8-16)15-23(19-12-13-19)21(24)14-11-18-5-3-4-6-20(18)22/h3-10,19H,2,11-15,22H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide?
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide is sourced from PubChem (CID 120608816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).