1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide

C18H23N3O5 — CID 46970772

IUPAC1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1=O
InChIInChI=1S/C18H23N3O5/c1-20-14-9-13(4-5-15(14)26-11-17(20)23)19-18(24)12-8-16(22)21(10-12)6-3-7-25-2/h4-5,9,12H,3,6-8,10-11H2,1-2H3,(H,19,24)
InChIKeySUNBNFWJHNIREN-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.87
Rot. Bonds6

About 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide

1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46970772) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46970772
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1=O
InChIInChI=1S/C18H23N3O5/c1-20-14-9-13(4-5-15(14)26-11-17(20)23)19-18(24)12-8-16(22)21(10-12)6-3-7-25-2/h4-5,9,12H,3,6-8,10-11H2,1-2H3,(H,19,24)
InChIKeySUNBNFWJHNIREN-UHFFFAOYSA-N
XLogP0.87
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182588
N-(3-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182587
(2S,3S)-2-[2-(3-methoxypropyl)pyrazol-3-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxolane-3-carboxamide
CID 128973997
6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82496765
N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182581
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108805610
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
(3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94143242
(3R)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94143241

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 46970772) is 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide is COCCCN1CC(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1=O.
What is the InChIKey of 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SUNBNFWJHNIREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-20-14-9-13(4-5-15(14)26-11-17(20)23)19-18(24)12-8-16(22)21(10-12)6-3-7-25-2/h4-5,9,12H,3,6-8,10-11H2,1-2H3,(H,19,24).
What are the key properties of 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46970772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).