4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide

C18H23N3O3 — CID 124875088

IUPAC4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide
SMILESC=CCN1CC[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1=O
InChIInChI=1S/C18H23N3O3/c1-4-10-21-11-9-16(18(21)24)20(3)17(23)15-7-5-14(6-8-15)12-19-13(2)22/h4-8,16H,1,9-12H2,2-3H3,(H,19,22)/t16-/m1/s1
InChIKeyXGHAFXMBMIWXAT-MRXNPFEDSA-N
MW329.40 g/mol
LogP1.18
Rot. Bonds6

About 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide

4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide (PubChem CID 124875088) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide
PubChem CID124875088
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide
SMILESC=CCN1CC[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1=O
InChIInChI=1S/C18H23N3O3/c1-4-10-21-11-9-16(18(21)24)20(3)17(23)15-7-5-14(6-8-15)12-19-13(2)22/h4-8,16H,1,9-12H2,2-3H3,(H,19,22)/t16-/m1/s1
InChIKeyXGHAFXMBMIWXAT-MRXNPFEDSA-N
XLogP1.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide (CID 124875088) is 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide is C=CCN1CC[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1=O.
What is the InChIKey of 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide?
The InChIKey is XGHAFXMBMIWXAT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-10-21-11-9-16(18(21)24)20(3)17(23)15-7-5-14(6-8-15)12-19-13(2)22/h4-8,16H,1,9-12H2,2-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide?
4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-methyl-N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 124875088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).