3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide

C14H20N2O — CID 113266948

IUPAC3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
SMILESCCC1(NC(=O)c2ccc(C)c(N)c2)CCC1
InChIInChI=1S/C14H20N2O/c1-3-14(7-4-8-14)16-13(17)11-6-5-10(2)12(15)9-11/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyVNSXJEAQFZCRTP-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.64
Rot. Bonds3

About 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide

3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide (PubChem CID 113266948) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
PubChem CID113266948
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
SMILESCCC1(NC(=O)c2ccc(C)c(N)c2)CCC1
InChIInChI=1S/C14H20N2O/c1-3-14(7-4-8-14)16-13(17)11-6-5-10(2)12(15)9-11/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyVNSXJEAQFZCRTP-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069
2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291
4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
CID 113358588
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide
CID 113488542
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[[(3-amino-4-methylbenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115430375
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79353186

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide (CID 113266948) is 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide is CCC1(NC(=O)c2ccc(C)c(N)c2)CCC1.
What is the InChIKey of 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide?
The InChIKey is VNSXJEAQFZCRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-14(7-4-8-14)16-13(17)11-6-5-10(2)12(15)9-11/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide?
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide is sourced from PubChem (CID 113266948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).