3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide

C23H32N2O3 — CID 120608398

IUPAC3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
SMILESCCOc1ccc(C(NC(=O)CCc2ccccc2N)C(C)C)cc1OCC
InChIInChI=1S/C23H32N2O3/c1-5-27-20-13-11-18(15-21(20)28-6-2)23(16(3)4)25-22(26)14-12-17-9-7-8-10-19(17)24/h7-11,13,15-16,23H,5-6,12,14,24H2,1-4H3,(H,25,26)
InChIKeyDRRIZRAMUFEIKR-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.51
Rot. Bonds10

About 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide

3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide (PubChem CID 120608398) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
PubChem CID120608398
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
SMILESCCOc1ccc(C(NC(=O)CCc2ccccc2N)C(C)C)cc1OCC
InChIInChI=1S/C23H32N2O3/c1-5-27-20-13-11-18(15-21(20)28-6-2)23(16(3)4)25-22(26)14-12-17-9-7-8-10-19(17)24/h7-11,13,15-16,23H,5-6,12,14,24H2,1-4H3,(H,25,26)
InChIKeyDRRIZRAMUFEIKR-UHFFFAOYSA-N
XLogP4.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 120610313
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42892461
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 56516603
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55491755
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036644
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide (CID 120608398) is 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide is CCOc1ccc(C(NC(=O)CCc2ccccc2N)C(C)C)cc1OCC.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide?
The InChIKey is DRRIZRAMUFEIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-5-27-20-13-11-18(15-21(20)28-6-2)23(16(3)4)25-22(26)14-12-17-9-7-8-10-19(17)24/h7-11,13,15-16,23H,5-6,12,14,24H2,1-4H3,(H,25,26).
What are the key properties of 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide?
3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide has a molecular weight of 384.52 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 120608398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).