5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide

C14H21N3O2 — CID 61439301

IUPAC5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
SMILESCCN(CC1CCCO1)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-2-17(9-11-4-3-7-19-11)13-6-5-10(15)8-12(13)14(16)18/h5-6,8,11H,2-4,7,9,15H2,1H3,(H2,16,18)
InChIKeyGAQPSCGDHGNYBQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.37
Rot. Bonds5

About 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide

5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide (PubChem CID 61439301) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
PubChem CID61439301
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
SMILESCCN(CC1CCCO1)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-2-17(9-11-4-3-7-19-11)13-6-5-10(15)8-12(13)14(16)18/h5-6,8,11H,2-4,7,9,15H2,1H3,(H2,16,18)
InChIKeyGAQPSCGDHGNYBQ-UHFFFAOYSA-N
XLogP1.37
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-2-iodo-1-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 66094780
4-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]benzoic acid
CID 61434621
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methoxybenzenecarbothioamide
CID 81305905
4-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbenzenecarbothioamide
CID 81276787
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 120636361
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120636360
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 24712248
2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
CID 62125297
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63118374

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide?
The IUPAC name of 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide (CID 61439301) is 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide is CCN(CC1CCCO1)c1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide?
The InChIKey is GAQPSCGDHGNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-17(9-11-4-3-7-19-11)13-6-5-10(15)8-12(13)14(16)18/h5-6,8,11H,2-4,7,9,15H2,1H3,(H2,16,18).
What are the key properties of 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide?
5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 61439301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).