4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C20H24N2O3 — CID 119729693

IUPAC4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C20H24N2O3/c1-24-19-7-3-2-5-16(19)13-22(14-18-6-4-12-25-18)20(23)15-8-10-17(21)11-9-15/h2-3,5,7-11,18H,4,6,12-14,21H2,1H3
InChIKeyRNUWHGBZNRMZRF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.10
Rot. Bonds6

About 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 119729693) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID119729693
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C20H24N2O3/c1-24-19-7-3-2-5-16(19)13-22(14-18-6-4-12-25-18)20(23)15-8-10-17(21)11-9-15/h2-3,5,7-11,18H,4,6,12-14,21H2,1H3
InChIKeyRNUWHGBZNRMZRF-UHFFFAOYSA-N
XLogP3.10
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
5-amino-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120623170
4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55763148
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968511
N-[(2-methoxyphenyl)methyl]-1,3-dioxo-N,2-bis(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55968894
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 55763179
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 119729693) is 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccccc1CN(CC1CCCO1)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RNUWHGBZNRMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-7-3-2-5-16(19)13-22(14-18-6-4-12-25-18)20(23)15-8-10-17(21)11-9-15/h2-3,5,7-11,18H,4,6,12-14,21H2,1H3.
What are the key properties of 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 119729693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).