N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide

C14H17N3O4 — CID 108507625

IUPACN'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESNc1ccccc1C(=O)NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C14H17N3O4/c15-11-6-2-1-5-10(11)12(18)17-14(20)13(19)16-8-9-4-3-7-21-9/h1-2,5-6,9H,3-4,7-8,15H2,(H,16,19)(H,17,18,20)
InChIKeyTZXSVBDGQQPTJH-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.18
Rot. Bonds3

About N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide

N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 108507625) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID108507625
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESNc1ccccc1C(=O)NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C14H17N3O4/c15-11-6-2-1-5-10(11)12(18)17-14(20)13(19)16-8-9-4-3-7-21-9/h1-2,5-6,9H,3-4,7-8,15H2,(H,16,19)(H,17,18,20)
InChIKeyTZXSVBDGQQPTJH-UHFFFAOYSA-N
XLogP-0.18
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 86995334

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide (CID 108507625) is N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide is Nc1ccccc1C(=O)NC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is TZXSVBDGQQPTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-11-6-2-1-5-10(11)12(18)17-14(20)13(19)16-8-9-4-3-7-21-9/h1-2,5-6,9H,3-4,7-8,15H2,(H,16,19)(H,17,18,20).
What are the key properties of N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide?
N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 291.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 108507625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).