N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide

C19H21N3O5 — CID 85102182

IUPACN-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(=O)N(CC#N)C2=O)cc1OC1CCCC1
InChIInChI=1S/C19H21N3O5/c1-26-15-7-6-12(10-16(15)27-13-4-2-3-5-13)18(24)21-14-11-17(23)22(9-8-20)19(14)25/h6-7,10,13-14H,2-5,9,11H2,1H3,(H,21,24)
InChIKeySJKIOGISCGPQQB-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.40
Rot. Bonds6

About N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide

N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide (PubChem CID 85102182) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide
PubChem CID85102182
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(=O)N(CC#N)C2=O)cc1OC1CCCC1
InChIInChI=1S/C19H21N3O5/c1-26-15-7-6-12(10-16(15)27-13-4-2-3-5-13)18(24)21-14-11-17(23)22(9-8-20)19(14)25/h6-7,10,13-14H,2-5,9,11H2,1H3,(H,21,24)
InChIKeySJKIOGISCGPQQB-UHFFFAOYSA-N
XLogP1.40
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide
CID 67556598
3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 10255000
methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate
CID 142869381
3-cyclopentyloxy-4-methoxy-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10409183
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate
CID 57237577
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide?
The IUPAC name of N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide (CID 85102182) is N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide?
The canonical SMILES for N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide is COc1ccc(C(=O)NC2CC(=O)N(CC#N)C2=O)cc1OC1CCCC1.
What is the InChIKey of N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide?
The InChIKey is SJKIOGISCGPQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-15-7-6-12(10-16(15)27-13-4-2-3-5-13)18(24)21-14-11-17(23)22(9-8-20)19(14)25/h6-7,10,13-14H,2-5,9,11H2,1H3,(H,21,24).
What are the key properties of N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide?
N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide has a molecular weight of 371.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide is sourced from PubChem (CID 85102182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).