3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide

C16H24N2O3 — CID 63725532

IUPAC3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(C)CC2CCCOC2)cc1N
InChIInChI=1S/C16H24N2O3/c1-3-21-15-7-6-13(9-14(15)17)16(19)18(2)10-12-5-4-8-20-11-12/h6-7,9,12H,3-5,8,10-11,17H2,1-2H3
InChIKeyXJZVLNBGWATQTB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.17
Rot. Bonds5

About 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide

3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 63725532) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID63725532
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(C)CC2CCCOC2)cc1N
InChIInChI=1S/C16H24N2O3/c1-3-21-15-7-6-13(9-14(15)17)16(19)18(2)10-12-5-4-8-20-11-12/h6-7,9,12H,3-5,8,10-11,17H2,1-2H3
InChIKeyXJZVLNBGWATQTB-UHFFFAOYSA-N
XLogP2.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.17
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-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631172
5-iodo-N-methyl-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 78950078

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide (CID 63725532) is 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide is CCOc1ccc(C(=O)N(C)CC2CCCOC2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is XJZVLNBGWATQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-15-7-6-13(9-14(15)17)16(19)18(2)10-12-5-4-8-20-11-12/h6-7,9,12H,3-5,8,10-11,17H2,1-2H3.
What are the key properties of 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 63725532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).