3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide

C14H21N3O — CID 114155053

IUPAC3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
SMILESCCNC(=O)c1ccc(NCC=C(C)C)c(N)c1
InChIInChI=1S/C14H21N3O/c1-4-16-14(18)11-5-6-13(12(15)9-11)17-8-7-10(2)3/h5-7,9,17H,4,8,15H2,1-3H3,(H,16,18)
InChIKeyKIQCRRWMIHPUSL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.40
Rot. Bonds5

About 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide

3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide (PubChem CID 114155053) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
PubChem CID114155053
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
SMILESCCNC(=O)c1ccc(NCC=C(C)C)c(N)c1
InChIInChI=1S/C14H21N3O/c1-4-16-14(18)11-5-6-13(12(15)9-11)17-8-7-10(2)3/h5-7,9,17H,4,8,15H2,1-3H3,(H,16,18)
InChIKeyKIQCRRWMIHPUSL-UHFFFAOYSA-N
XLogP2.40
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418
N-ethyl-4-(3-methylbut-2-enylamino)-3-nitrobenzamide
CID 106191298
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
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-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
3-amino-4-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179688
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
CID 82990421
3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 106007399

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide (CID 114155053) is 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide is CCNC(=O)c1ccc(NCC=C(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide?
The InChIKey is KIQCRRWMIHPUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-16-14(18)11-5-6-13(12(15)9-11)17-8-7-10(2)3/h5-7,9,17H,4,8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide?
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide is sourced from PubChem (CID 114155053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).