N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide

C16H18N2O4 — CID 95288277

IUPACN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)ccc1C
InChIInChI=1S/C16H18N2O4/c1-9-3-4-10(7-13(9)22-2)16(21)18(11-5-6-11)12-8-14(19)17-15(12)20/h3-4,7,11-12H,5-6,8H2,1-2H3,(H,17,19,20)/t12-/m0/s1
InChIKeyBGUDRWHAWVSKBI-LBPRGKRZSA-N
MW302.33 g/mol
LogP1.02
Rot. Bonds4

About N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide

N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide (PubChem CID 95288277) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide
PubChem CID95288277
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)ccc1C
InChIInChI=1S/C16H18N2O4/c1-9-3-4-10(7-13(9)22-2)16(21)18(11-5-6-11)12-8-14(19)17-15(12)20/h3-4,7,11-12H,5-6,8H2,1-2H3,(H,17,19,20)/t12-/m0/s1
InChIKeyBGUDRWHAWVSKBI-LBPRGKRZSA-N
XLogP1.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
CID 95306595
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide
CID 51103040
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 98130864
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
2-(4-cyano-2-methoxyphenoxy)-N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 97046517
1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 136522609
N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-ethylpyridine-2-carboxamide
CID 124615274
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide
CID 95282065
(Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide
CID 98516549
N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
CID 102638874
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide (CID 95288277) is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)ccc1C.
What is the InChIKey of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide?
The InChIKey is BGUDRWHAWVSKBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9-3-4-10(7-13(9)22-2)16(21)18(11-5-6-11)12-8-14(19)17-15(12)20/h3-4,7,11-12H,5-6,8H2,1-2H3,(H,17,19,20)/t12-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide?
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide has a molecular weight of 302.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 95288277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).