4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide

C14H21N3O2 — CID 82725625

IUPAC4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NC1CCOC1C
InChIInChI=1S/C14H21N3O2/c1-3-16-14(18)11-5-4-10(15)8-13(11)17-12-6-7-19-9(12)2/h4-5,8-9,12,17H,3,6-7,15H2,1-2H3,(H,16,18)
InChIKeyCPQNRHTYNSOKOH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.61
Rot. Bonds4

About 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide

4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide (PubChem CID 82725625) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
PubChem CID82725625
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NC1CCOC1C
InChIInChI=1S/C14H21N3O2/c1-3-16-14(18)11-5-4-10(15)8-13(11)17-12-6-7-19-9(12)2/h4-5,8-9,12,17H,3,6-7,15H2,1-2H3,(H,16,18)
InChIKeyCPQNRHTYNSOKOH-UHFFFAOYSA-N
XLogP1.61
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)benzamide
CID 80714900
4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide
CID 64740693
2,4-diamino-N-[(2-methyloxolan-3-yl)methyl]benzamide
CID 114104632
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
N-ethyl-4-[(2-methyloxolan-3-yl)amino]pyridine-2-carboxamide
CID 82728955
4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727164
4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
methyl 3-amino-4-[(2-methyloxolan-3-yl)amino]benzoate
CID 82736514
5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride
CID 120648019
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
CID 106099441
2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82726024

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide (CID 82725625) is 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide is CCNC(=O)c1ccc(N)cc1NC1CCOC1C.
What is the InChIKey of 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide?
The InChIKey is CPQNRHTYNSOKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-16-14(18)11-5-4-10(15)8-13(11)17-12-6-7-19-9(12)2/h4-5,8-9,12,17H,3,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide?
4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide is sourced from PubChem (CID 82725625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).