5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide

C20H24N2O2 — CID 120623335

IUPAC5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H24N2O2/c1-15-7-8-17(21)13-18(15)19(23)22-14-20(9-11-24-12-10-20)16-5-3-2-4-6-16/h2-8,13H,9-12,14,21H2,1H3,(H,22,23)
InChIKeyMVGGATWEDUKQIR-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.06
Rot. Bonds4

About 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide

5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 120623335) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID120623335
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H24N2O2/c1-15-7-8-17(21)13-18(15)19(23)22-14-20(9-11-24-12-10-20)16-5-3-2-4-6-16/h2-8,13H,9-12,14,21H2,1H3,(H,22,23)
InChIKeyMVGGATWEDUKQIR-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]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

5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 120625700
5-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120625639
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119945234
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119749819
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 120623335) is 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide is Cc1ccc(N)cc1C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is MVGGATWEDUKQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-8-17(21)13-18(15)19(23)22-14-20(9-11-24-12-10-20)16-5-3-2-4-6-16/h2-8,13H,9-12,14,21H2,1H3,(H,22,23).
What are the key properties of 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide?
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 120623335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).