N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide

C12H14N2O3 — CID 64992271

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide
SMILESCOc1cc(NC=O)ccc1N1CCCC1=O
InChIInChI=1S/C12H14N2O3/c1-17-11-7-9(13-8-15)4-5-10(11)14-6-2-3-12(14)16/h4-5,7-8H,2-3,6H2,1H3,(H,13,15)
InChIKeyUTPUIJZTWSPPFR-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.39
Rot. Bonds4

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide (PubChem CID 64992271) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide
PubChem CID64992271
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide
SMILESCOc1cc(NC=O)ccc1N1CCCC1=O
InChIInChI=1S/C12H14N2O3/c1-17-11-7-9(13-8-15)4-5-10(11)14-6-2-3-12(14)16/h4-5,7-8H,2-3,6H2,1H3,(H,13,15)
InChIKeyUTPUIJZTWSPPFR-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 107650806
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one
CID 104848461
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile
CID 133392008
(E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 51317965
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180002

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide (CID 64992271) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide is COc1cc(NC=O)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide?
The InChIKey is UTPUIJZTWSPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-11-7-9(13-8-15)4-5-10(11)14-6-2-3-12(14)16/h4-5,7-8H,2-3,6H2,1H3,(H,13,15).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide has a molecular weight of 234.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide is sourced from PubChem (CID 64992271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).