1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C18H32N4O4 — CID 161010004

IUPAC1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCN(C)C1=O.CC(C)NC(=O)C1CCN(C)C1=O
InChIInChI=1S/2C9H16N2O2/c2*1-6(2)10-8(12)7-4-5-11(3)9(7)13/h2*6-7H,4-5H2,1-3H3,(H,10,12)
InChIKeyTWZYBJBUDCRGEY-UHFFFAOYSA-N
MW368.48 g/mol
LogP-0.02
Rot. Bonds4

About 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 161010004) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID161010004
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Name1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCN(C)C1=O.CC(C)NC(=O)C1CCN(C)C1=O
InChIInChI=1S/2C9H16N2O2/c2*1-6(2)10-8(12)7-4-5-11(3)9(7)13/h2*6-7H,4-5H2,1-3H3,(H,10,12)
InChIKeyTWZYBJBUDCRGEY-UHFFFAOYSA-N
XLogP-0.02
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
(3R,10R,13S,16S)-N-(3-aminopropyl)-2,8,12,15-tetraoxo-13-propan-2-yl-1,7,11,14-tetrazatricyclo[14.3.0.03,7]nonadecane-10-carboxamide
CID 137633549
(3R,10S,13S,16S)-N-(3-aminopropyl)-2,8,12,15-tetraoxo-13-propan-2-yl-1,7,11,14-tetrazatricyclo[14.3.0.03,7]nonadecane-10-carboxamide
CID 137654645
N-t-butyl-2,2-dimethyl-4-oxo-3-(pyrrolidin-1-ylcarbonyl)-4-(pyrrolidin-1-yl)butyramide
CID 12080355
5-oxo-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 53505206
Tfa-DL-N(Me)Ala-DL-N(Me)Val-Asp(1)-pyrrolidide.N(1)Sar-Gly-pyrrolidide
CID 169597609
Tfa-DL-Ala-DL-N(Me)Val-Asp(1)-pyrrolidide.N(1)Sar-Gly-pyrrolidide
CID 169597613
1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 4575183
N-[3-[bis(2-methylpropyl)amino]propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 20968292
1-cyclopentyl-N-[3-(dipropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 20968293
3-(Butan-2-ylamino)-1-[5-[3-(butan-2-ylamino)-2,5-dioxopyrrolidin-1-yl]-4-methylpentyl]pyrrolidine-2,5-dione
CID 58785289
N-[2-(diethylamino)ethyl]-2-[methyl-[1-[6-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]hexyl]-2,5-dioxopyrrolidin-3-yl]amino]acetamide
CID 59202466

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 161010004) is 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CCN(C)C1=O.CC(C)NC(=O)C1CCN(C)C1=O.
What is the InChIKey of 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is TWZYBJBUDCRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16N2O2/c2*1-6(2)10-8(12)7-4-5-11(3)9(7)13/h2*6-7H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 161010004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).