4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide

C14H20N2O3 — CID 66250429

IUPAC4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2(C)COCC2N)c1
InChIInChI=1S/C14H20N2O3/c1-14(9-19-8-12(14)15)13(17)16-7-10-4-3-5-11(6-10)18-2/h3-6,12H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyONQAMTJLURMRKU-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.68
Rot. Bonds4

About 4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide

4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide (PubChem CID 66250429) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
PubChem CID66250429
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2(C)COCC2N)c1
InChIInChI=1S/C14H20N2O3/c1-14(9-19-8-12(14)15)13(17)16-7-10-4-3-5-11(6-10)18-2/h3-6,12H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyONQAMTJLURMRKU-UHFFFAOYSA-N
XLogP0.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 66250428
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide
CID 66250662
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431
4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66248831
4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide
CID 106416741
4-(ethylamino)-N-[(3-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 66257709
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-(3-methoxyphenyl)acetamide
CID 79698743
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 80597303
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-(cyclopentylidenemethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108913758

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide (CID 66250429) is 4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide is COc1cccc(CNC(=O)C2(C)COCC2N)c1.
What is the InChIKey of 4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide?
The InChIKey is ONQAMTJLURMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(9-19-8-12(14)15)13(17)16-7-10-4-3-5-11(6-10)18-2/h3-6,12H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.68, 4 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)methyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).