3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide

C17H25N3O — CID 82990421

IUPAC3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCC(C2CC2)C2CC2)c(N)c1
InChIInChI=1S/C17H25N3O/c1-2-19-17(21)13-7-8-16(15(18)9-13)20-10-14(11-3-4-11)12-5-6-12/h7-9,11-12,14,20H,2-6,10,18H2,1H3,(H,19,21)
InChIKeyVETBJYBDQZNYOB-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.87
Rot. Bonds7

About 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide

3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide (PubChem CID 82990421) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
PubChem CID82990421
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCC(C2CC2)C2CC2)c(N)c1
InChIInChI=1S/C17H25N3O/c1-2-19-17(21)13-7-8-16(15(18)9-13)20-10-14(11-3-4-11)12-5-6-12/h7-9,11-12,14,20H,2-6,10,18H2,1H3,(H,19,21)
InChIKeyVETBJYBDQZNYOB-UHFFFAOYSA-N
XLogP2.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113866
3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
CID 83000421
3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990424
3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-N-ethyl-4-[(2-methylcyclopropyl)amino]benzamide
CID 82999769
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
CID 82990428
3-amino-4-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzamide
CID 82989589
3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
CID 106324843

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide?
The IUPAC name of 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide (CID 82990421) is 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide is CCNC(=O)c1ccc(NCC(C2CC2)C2CC2)c(N)c1.
What is the InChIKey of 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide?
The InChIKey is VETBJYBDQZNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-19-17(21)13-7-8-16(15(18)9-13)20-10-14(11-3-4-11)12-5-6-12/h7-9,11-12,14,20H,2-6,10,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide?
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide has a molecular weight of 287.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide is sourced from PubChem (CID 82990421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).