3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide

C11H17N3O2 — CID 82999693

IUPAC3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N(C)OC)c(N)c1
InChIInChI=1S/C11H17N3O2/c1-4-13-11(15)8-5-6-10(9(12)7-8)14(2)16-3/h5-7H,4,12H2,1-3H3,(H,13,15)
InChIKeyASGXZDPLMTZQTG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.02
Rot. Bonds4

About 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide

3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide (PubChem CID 82999693) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
PubChem CID82999693
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N(C)OC)c(N)c1
InChIInChI=1S/C11H17N3O2/c1-4-13-11(15)8-5-6-10(9(12)7-8)14(2)16-3/h5-7H,4,12H2,1-3H3,(H,13,15)
InChIKeyASGXZDPLMTZQTG-UHFFFAOYSA-N
XLogP1.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
3-amino-4-[3-(dimethylamino)propyl-methylamino]-N-ethylbenzamide
CID 83000346
3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
CID 83000269
3-amino-N-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzamide
CID 82999560
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
CID 82999772
3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 82999998
4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
CID 63357385
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
2-[2-amino-5-(ethylcarbamoyl)-N-methylanilino]acetic acid
CID 55188575

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide (CID 82999693) is 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide is CCNC(=O)c1ccc(N(C)OC)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide?
The InChIKey is ASGXZDPLMTZQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-13-11(15)8-5-6-10(9(12)7-8)14(2)16-3/h5-7H,4,12H2,1-3H3,(H,13,15).
What are the key properties of 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide?
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide has a molecular weight of 223.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide is sourced from PubChem (CID 82999693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).