3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide

C15H22N2O3 — CID 114946931

IUPAC3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCOCC2)cc1N
InChIInChI=1S/C15H22N2O3/c1-11-3-4-12(9-13(11)16)14(18)17(2)10-15(19)5-7-20-8-6-15/h3-4,9,19H,5-8,10,16H2,1-2H3
InChIKeyOZZQVYKOOAQWDM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.19
Rot. Bonds3

About 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide

3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide (PubChem CID 114946931) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
PubChem CID114946931
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCOCC2)cc1N
InChIInChI=1S/C15H22N2O3/c1-11-3-4-12(9-13(11)16)14(18)17(2)10-15(19)5-7-20-8-6-15/h3-4,9,19H,5-8,10,16H2,1-2H3
InChIKeyOZZQVYKOOAQWDM-UHFFFAOYSA-N
XLogP1.19
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide 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-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-iodo-N-methylbenzamide
CID 105341207
3-chloro-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951301
3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105339952
1-(3,4-dimethylphenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950501
3-(4-aminophenyl)-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114950105
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethylbenzamide
CID 114949584
5-amino-2,3-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 107186071
3-bromo-5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105336754
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide (CID 114946931) is 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC2(O)CCOCC2)cc1N.
What is the InChIKey of 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide?
The InChIKey is OZZQVYKOOAQWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-3-4-12(9-13(11)16)14(18)17(2)10-15(19)5-7-20-8-6-15/h3-4,9,19H,5-8,10,16H2,1-2H3.
What are the key properties of 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide?
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 114946931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).