4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide

C14H23N3O2 — CID 104758824

IUPAC4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC(C)(C)OC
InChIInChI=1S/C14H23N3O2/c1-5-16-13(18)11-7-6-10(15)8-12(11)17-9-14(2,3)19-4/h6-8,17H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyPMQSZZZQCHRXNL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds6

About 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide

4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide (PubChem CID 104758824) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
PubChem CID104758824
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC(C)(C)OC
InChIInChI=1S/C14H23N3O2/c1-5-16-13(18)11-7-6-10(15)8-12(11)17-9-14(2,3)19-4/h6-8,17H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyPMQSZZZQCHRXNL-UHFFFAOYSA-N
XLogP1.86
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
CID 106140637
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104765046
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
CID 106308871
4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106104018
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81171388
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide
CID 106140800
4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide (CID 104758824) is 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide is CCNC(=O)c1ccc(N)cc1NCC(C)(C)OC.
What is the InChIKey of 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide?
The InChIKey is PMQSZZZQCHRXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-16-13(18)11-7-6-10(15)8-12(11)17-9-14(2,3)19-4/h6-8,17H,5,9,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide?
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide has a molecular weight of 265.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide is sourced from PubChem (CID 104758824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).