4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide

C14H21N3O — CID 114107376

IUPAC4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide
SMILESCCC1(CNc2cc(C(N)=O)ccc2N)CCC1
InChIInChI=1S/C14H21N3O/c1-2-14(6-3-7-14)9-17-12-8-10(13(16)18)4-5-11(12)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3,(H2,16,18)
InChIKeyROVKWFYJWKAMFM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.36
Rot. Bonds5

About 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide

4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide (PubChem CID 114107376) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide
PubChem CID114107376
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide
SMILESCCC1(CNc2cc(C(N)=O)ccc2N)CCC1
InChIInChI=1S/C14H21N3O/c1-2-14(6-3-7-14)9-17-12-8-10(13(16)18)4-5-11(12)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3,(H2,16,18)
InChIKeyROVKWFYJWKAMFM-UHFFFAOYSA-N
XLogP2.36
TPSA81.14 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 ≤ 52.36
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-3-[(1-hydroxycycloheptyl)methylamino]benzamide
CID 65123098
4-amino-3-[(2-methylthiolan-2-yl)methylamino]benzamide
CID 80737585
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
4-[(1-ethylcyclobutyl)methylamino]-3-fluorobenzoic acid
CID 114109711
4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide
CID 114755845
4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
CID 79353564
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
6-[(1-ethylcyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103741792
4-amino-3-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115594

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide?
The IUPAC name of 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide (CID 114107376) is 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide.
What is the SMILES notation for 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide?
The canonical SMILES for 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide is CCC1(CNc2cc(C(N)=O)ccc2N)CCC1.
What is the InChIKey of 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide?
The InChIKey is ROVKWFYJWKAMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-14(6-3-7-14)9-17-12-8-10(13(16)18)4-5-11(12)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3,(H2,16,18).
What are the key properties of 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide?
4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide is sourced from PubChem (CID 114107376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).