4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide

C16H27N3O — CID 83141974

IUPAC4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC(C)C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-6-18-15(20)13-8-7-12(17)9-14(13)19-10-11(2)16(3,4)5/h7-9,11,19H,6,10,17H2,1-5H3,(H,18,20)
InChIKeyXCRFJGFMEJRYIQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.11
Rot. Bonds5

About 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide

4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide (PubChem CID 83141974) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
PubChem CID83141974
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC(C)C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-6-18-15(20)13-8-7-12(17)9-14(13)19-10-11(2)16(3,4)5/h7-9,11,19H,6,10,17H2,1-5H3,(H,18,20)
InChIKeyXCRFJGFMEJRYIQ-UHFFFAOYSA-N
XLogP3.11
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
CID 106140637
4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
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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-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
CID 106099441
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106394006

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide?
The IUPAC name of 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide (CID 83141974) is 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide is CCNC(=O)c1ccc(N)cc1NCC(C)C(C)(C)C.
What is the InChIKey of 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide?
The InChIKey is XCRFJGFMEJRYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-18-15(20)13-8-7-12(17)9-14(13)19-10-11(2)16(3,4)5/h7-9,11,19H,6,10,17H2,1-5H3,(H,18,20).
What are the key properties of 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide?
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide has a molecular weight of 277.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide is sourced from PubChem (CID 83141974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).