2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide

C18H21N3O5 — CID 168559917

IUPAC2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C18H21N3O5/c22-8-7-21-16(23)10-15(18(21)25)20-14-6-2-1-5-13(14)17(24)19-11-12-4-3-9-26-12/h1-2,5-6,10,12,20,22H,3-4,7-9,11H2,(H,19,24)
InChIKeyLAQWOSFMHKPQEJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.25
Rot. Bonds7

About 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide

2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 168559917) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID168559917
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C18H21N3O5/c22-8-7-21-16(23)10-15(18(21)25)20-14-6-2-1-5-13(14)17(24)19-11-12-4-3-9-26-12/h1-2,5-6,10,12,20,22H,3-4,7-9,11H2,(H,19,24)
InChIKeyLAQWOSFMHKPQEJ-UHFFFAOYSA-N
XLogP0.25
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
2-ethyl-1,3-dioxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]isoindole-5-carboxamide
CID 17361782
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 9350768
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 168559917) is 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1NC1=CC(=O)N(CCO)C1=O.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LAQWOSFMHKPQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-8-7-21-16(23)10-15(18(21)25)20-14-6-2-1-5-13(14)17(24)19-11-12-4-3-9-26-12/h1-2,5-6,10,12,20,22H,3-4,7-9,11H2,(H,19,24).
What are the key properties of 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 359.38 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 168559917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).