4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide

C13H18N2O3 — CID 115293571

IUPAC4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1cccc(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-3-10(9-11)15-12(16)13(14)5-7-18-8-6-13/h2-4,9H,5-8,14H2,1H3,(H,15,16)
InChIKeyHOENTDPXZZXOPZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds3

About 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide

4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide (PubChem CID 115293571) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
PubChem CID115293571
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1cccc(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-3-10(9-11)15-12(16)13(14)5-7-18-8-6-13/h2-4,9H,5-8,14H2,1H3,(H,15,16)
InChIKeyHOENTDPXZZXOPZ-UHFFFAOYSA-N
XLogP1.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide 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

1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
CID 115294807
4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide
CID 115293964
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 64894149
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729422

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide (CID 115293571) is 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide is COc1cccc(NC(=O)C2(N)CCOCC2)c1.
What is the InChIKey of 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is HOENTDPXZZXOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-4-2-3-10(9-11)15-12(16)13(14)5-7-18-8-6-13/h2-4,9H,5-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide?
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115293571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).