3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide

C20H24N2O3 — CID 170919188

IUPAC3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide
SMILESNCc1cc(C(=O)NC2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H24N2O3/c21-13-17-12-16(20(23)22-18-8-10-24-11-9-18)6-7-19(17)25-14-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13-14,21H2,(H,22,23)
InChIKeyNZJZQXMSHBEHTE-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.63
Rot. Bonds6

About 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide

3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide (PubChem CID 170919188) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide
PubChem CID170919188
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide
SMILESNCc1cc(C(=O)NC2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H24N2O3/c21-13-17-12-16(20(23)22-18-8-10-24-11-9-18)6-7-19(17)25-14-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13-14,21H2,(H,22,23)
InChIKeyNZJZQXMSHBEHTE-UHFFFAOYSA-N
XLogP2.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide 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-acetamido-N-[2-(oxan-4-yl)ethyl]-3-phenylmethoxybenzamide
CID 162654357
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
4-amino-N-cyclopentyl-2-phenylmethoxybenzamide
CID 146035949
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524557
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide?
The IUPAC name of 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide (CID 170919188) is 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide?
The canonical SMILES for 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide is NCc1cc(C(=O)NC2CCOCC2)ccc1OCc1ccccc1.
What is the InChIKey of 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide?
The InChIKey is NZJZQXMSHBEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c21-13-17-12-16(20(23)22-18-8-10-24-11-9-18)6-7-19(17)25-14-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13-14,21H2,(H,22,23).
What are the key properties of 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide?
3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(oxan-4-yl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 170919188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).