3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide

C16H24N2O — CID 55000467

IUPAC3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC1CC1)C(=O)CCc1ccccc1N
InChIInChI=1S/C16H24N2O/c1-12(2)18(11-13-7-8-13)16(19)10-9-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11,17H2,1-2H3
InChIKeyAGYUTGWXFFLOEI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds6

About 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide

3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide (PubChem CID 55000467) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide
PubChem CID55000467
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC1CC1)C(=O)CCc1ccccc1N
InChIInChI=1S/C16H24N2O/c1-12(2)18(11-13-7-8-13)16(19)10-9-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11,17H2,1-2H3
InChIKeyAGYUTGWXFFLOEI-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
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-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 63957099
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride
CID 120610537
3-(2-aminophenyl)-N-butyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 120611121
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide
CID 120612535
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83136533
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide (CID 55000467) is 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide is CC(C)N(CC1CC1)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide?
The InChIKey is AGYUTGWXFFLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)18(11-13-7-8-13)16(19)10-9-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11,17H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide?
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 55000467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).