2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide

C20H24N2O2 — CID 119747350

IUPAC2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1ccc(CC(=O)N(Cc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C20H24N2O2/c21-18-10-8-16(9-11-18)13-20(23)22(15-19-7-4-12-24-19)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-15,21H2
InChIKeyIWTDMZYSAXGOQM-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.02
Rot. Bonds6

About 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide

2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 119747350) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID119747350
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1ccc(CC(=O)N(Cc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C20H24N2O2/c21-18-10-8-16(9-11-18)13-20(23)22(15-19-7-4-12-24-19)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-15,21H2
InChIKeyIWTDMZYSAXGOQM-UHFFFAOYSA-N
XLogP3.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
4-[3-[benzyl(oxolan-2-ylmethyl)amino]-3-oxopropyl]benzoic acid
CID 119182305
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78806114
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 3267689
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51966521
2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119805627
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide (CID 119747350) is 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide is Nc1ccc(CC(=O)N(Cc2ccccc2)CC2CCCO2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IWTDMZYSAXGOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-18-10-8-16(9-11-18)13-20(23)22(15-19-7-4-12-24-19)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-15,21H2.
What are the key properties of 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide?
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 119747350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).