3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide

C15H22N2O3 — CID 61115387

IUPAC3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-3-17(9-11-6-7-20-10-11)15(18)12-4-5-14(19-2)13(16)8-12/h4-5,8,11H,3,6-7,9-10,16H2,1-2H3
InChIKeyVXFGJCQSLRPMKJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds5

About 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide

3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 61115387) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
PubChem CID61115387
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-3-17(9-11-6-7-20-10-11)15(18)12-4-5-14(19-2)13(16)8-12/h4-5,8,11H,3,6-7,9-10,16H2,1-2H3
InChIKeyVXFGJCQSLRPMKJ-UHFFFAOYSA-N
XLogP1.78
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 95127027
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
N-ethyl-4,5-dimethoxy-2-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94799727
3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104
4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 52511585
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63725532
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
N-ethyl-4-(methylamino)-3-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94797422
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide (CID 61115387) is 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide is CCN(CC1CCOC1)C(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is VXFGJCQSLRPMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-17(9-11-6-7-20-10-11)15(18)12-4-5-14(19-2)13(16)8-12/h4-5,8,11H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide?
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 61115387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).