3-amino-4-(3-ethylpentan-3-ylamino)benzamide

C14H23N3O — CID 65039779

IUPAC3-amino-4-(3-ethylpentan-3-ylamino)benzamide
SMILESCCC(CC)(CC)Nc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,6-3)17-12-8-7-10(13(16)18)9-11(12)15/h7-9,17H,4-6,15H2,1-3H3,(H2,16,18)
InChIKeySIDCXZYMFFSYAD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.75
Rot. Bonds6

About 3-amino-4-(3-ethylpentan-3-ylamino)benzamide

3-amino-4-(3-ethylpentan-3-ylamino)benzamide (PubChem CID 65039779) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-4-(3-ethylpentan-3-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(3-ethylpentan-3-ylamino)benzamide
PubChem CID65039779
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-4-(3-ethylpentan-3-ylamino)benzamide
SMILESCCC(CC)(CC)Nc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,6-3)17-12-8-7-10(13(16)18)9-11(12)15/h7-9,17H,4-6,15H2,1-3H3,(H2,16,18)
InChIKeySIDCXZYMFFSYAD-UHFFFAOYSA-N
XLogP2.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.75
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

3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
3-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115599
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416
3-amino-4-[[5-[4-carbamoyl-2-(hydroxyamino)anilino]-2-methylpentan-2-yl]amino]benzamide
CID 138535443
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418
ethyl 3-amino-4-(tert-butylamino)benzoate
CID 11310913
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-ethylpentan-3-ylamino)benzamide?
The IUPAC name of 3-amino-4-(3-ethylpentan-3-ylamino)benzamide (CID 65039779) is 3-amino-4-(3-ethylpentan-3-ylamino)benzamide.
What is the SMILES notation for 3-amino-4-(3-ethylpentan-3-ylamino)benzamide?
The canonical SMILES for 3-amino-4-(3-ethylpentan-3-ylamino)benzamide is CCC(CC)(CC)Nc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(3-ethylpentan-3-ylamino)benzamide?
The InChIKey is SIDCXZYMFFSYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(5-2,6-3)17-12-8-7-10(13(16)18)9-11(12)15/h7-9,17H,4-6,15H2,1-3H3,(H2,16,18).
What are the key properties of 3-amino-4-(3-ethylpentan-3-ylamino)benzamide?
3-amino-4-(3-ethylpentan-3-ylamino)benzamide has a molecular weight of 249.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-ethylpentan-3-ylamino)benzamide is sourced from PubChem (CID 65039779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).