3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide

C17H20N2O3 — CID 82183957

IUPAC3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
SMILESCCN(C(=O)c1cc(N)c(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-4-19(13-8-6-5-7-9-13)17(20)12-10-14(18)16(22-3)15(11-12)21-2/h5-11H,4,18H2,1-3H3
InChIKeyMDLXYUKRSKOJBX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.95
Rot. Bonds5

About 3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide

3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide (PubChem CID 82183957) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
PubChem CID82183957
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
SMILESCCN(C(=O)c1cc(N)c(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-4-19(13-8-6-5-7-9-13)17(20)12-10-14(18)16(22-3)15(11-12)21-2/h5-11H,4,18H2,1-3H3
InChIKeyMDLXYUKRSKOJBX-UHFFFAOYSA-N
XLogP2.95
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.95
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

4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
CID 134028659
3-amino-4-bromo-N-ethyl-N-phenylbenzamide
CID 61090191
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
CID 81094810
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide
CID 55429568
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide
CID 18848298
2-amino-N-ethyl-4-methoxy-N-phenylbenzamide
CID 115412453
5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
CID 82183962
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
2-(2,4-dimethoxy-3-methylphenyl)-N-ethyl-N-phenylacetamide
CID 110769844

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide?
The IUPAC name of 3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide (CID 82183957) is 3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide.
What is the SMILES notation for 3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide?
The canonical SMILES for 3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide is CCN(C(=O)c1cc(N)c(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide?
The InChIKey is MDLXYUKRSKOJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-19(13-8-6-5-7-9-13)17(20)12-10-14(18)16(22-3)15(11-12)21-2/h5-11H,4,18H2,1-3H3.
What are the key properties of 3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide?
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.95, 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-4,5-dimethoxy-N-phenylbenzamide is sourced from PubChem (CID 82183957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).