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

C15H16N2O4 — CID 95306595

IUPACN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1
InChIInChI=1S/C15H16N2O4/c1-21-11-6-2-9(3-7-11)15(20)17(10-4-5-10)12-8-13(18)16-14(12)19/h2-3,6-7,10,12H,4-5,8H2,1H3,(H,16,18,19)/t12-/m0/s1
InChIKeyMICYMHNRMSVXPX-LBPRGKRZSA-N
MW288.30 g/mol
LogP0.71
Rot. Bonds4

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

N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide (PubChem CID 95306595) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
PubChem CID95306595
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1
InChIInChI=1S/C15H16N2O4/c1-21-11-6-2-9(3-7-11)15(20)17(10-4-5-10)12-8-13(18)16-14(12)19/h2-3,6-7,10,12H,4-5,8H2,1H3,(H,16,18,19)/t12-/m0/s1
InChIKeyMICYMHNRMSVXPX-LBPRGKRZSA-N
XLogP0.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.71
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]-3-methoxy-4-methylbenzamide
CID 95288277
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 98130864
(Z)-N-cyclopropyl-3-(3,5-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]prop-2-enamide
CID 98516549
N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
CID 143724469
N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-naphthalen-2-yloxyacetamide
CID 51129571
N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetamide
CID 52530329
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide
CID 124591822
1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 136522609
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-2,6-dimethylquinoline-3-carboxamide
CID 95282065
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide
CID 51103040
2-(4-cyano-2-methoxyphenoxy)-N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 97046517
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide (CID 95306595) is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1.
What is the InChIKey of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide?
The InChIKey is MICYMHNRMSVXPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-21-11-6-2-9(3-7-11)15(20)17(10-4-5-10)12-8-13(18)16-14(12)19/h2-3,6-7,10,12H,4-5,8H2,1H3,(H,16,18,19)/t12-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide?
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide has a molecular weight of 288.30 g/mol, XLogP of 0.71, 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]-4-methoxybenzamide is sourced from PubChem (CID 95306595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).