3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide

C16H20N2O3 — CID 81093317

IUPAC3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC)Cc2ccco2)c1
InChIInChI=1S/C16H20N2O3/c1-3-18(11-14-6-5-7-21-14)16(19)12-8-13(17)10-15(9-12)20-4-2/h5-10H,3-4,11,17H2,1-2H3
InChIKeyKAHBOWKWMMUOKE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.92
Rot. Bonds6

About 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide

3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide (PubChem CID 81093317) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
PubChem CID81093317
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC)Cc2ccco2)c1
InChIInChI=1S/C16H20N2O3/c1-3-18(11-14-6-5-7-21-14)16(19)12-8-13(17)10-15(9-12)20-4-2/h5-10H,3-4,11,17H2,1-2H3
InChIKeyKAHBOWKWMMUOKE-UHFFFAOYSA-N
XLogP2.92
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.92
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

2-amino-6-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 81394645
5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
CID 80730860
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
CID 107024394
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
CID 81094810
2-(2-aminophenoxy)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 61110180
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
3-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525222
3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 81094441

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide (CID 81093317) is 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide is CCOc1cc(N)cc(C(=O)N(CC)Cc2ccco2)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide?
The InChIKey is KAHBOWKWMMUOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-18(11-14-6-5-7-21-14)16(19)12-8-13(17)10-15(9-12)20-4-2/h5-10H,3-4,11,17H2,1-2H3.
What are the key properties of 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide?
3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 81093317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).