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

C15H22N2O3 — CID 66250428

IUPAC4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2(C)COCC2N)c1
InChIInChI=1S/C15H22N2O3/c1-3-20-12-6-4-5-11(7-12)8-17-14(18)15(2)10-19-9-13(15)16/h4-7,13H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyCFJHXVBBQORRRI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.07
Rot. Bonds5

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

4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide (PubChem CID 66250428) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
PubChem CID66250428
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2(C)COCC2N)c1
InChIInChI=1S/C15H22N2O3/c1-3-20-12-6-4-5-11(7-12)8-17-14(18)15(2)10-19-9-13(15)16/h4-7,13H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyCFJHXVBBQORRRI-UHFFFAOYSA-N
XLogP1.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 66250429
4-amino-N-[(3-ethoxyphenyl)methyl]oxolane-3-carboxamide
CID 66239651
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide
CID 66250662
4-amino-3-methyl-N-(naphthalen-1-ylmethyl)oxolane-3-carboxamide
CID 66263037
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
N-[(3-ethoxyphenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63128509
4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide
CID 66251047
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
CID 66249824
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide (CID 66250428) is 4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide is CCOc1cccc(CNC(=O)C2(C)COCC2N)c1.
What is the InChIKey of 4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide?
The InChIKey is CFJHXVBBQORRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-12-6-4-5-11(7-12)8-17-14(18)15(2)10-19-9-13(15)16/h4-7,13H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).