N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide

C16H22N4O3 — CID 60616745

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC2CC(=O)N(C)C2)c1
InChIInChI=1S/C16H22N4O3/c1-10(2)17-16(23)19-12-6-4-5-11(7-12)15(22)18-13-8-14(21)20(3)9-13/h4-7,10,13H,8-9H2,1-3H3,(H,18,22)(H2,17,19,23)
InChIKeyYAQXSBUCHNTKKO-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.18
Rot. Bonds4

About N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide

N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 60616745) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID60616745
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC2CC(=O)N(C)C2)c1
InChIInChI=1S/C16H22N4O3/c1-10(2)17-16(23)19-12-6-4-5-11(7-12)15(22)18-13-8-14(21)20(3)9-13/h4-7,10,13H,8-9H2,1-3H3,(H,18,22)(H2,17,19,23)
InChIKeyYAQXSBUCHNTKKO-UHFFFAOYSA-N
XLogP1.18
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119426507
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate
CID 60616666
1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 95969340
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-propan-2-ylurea
CID 71789164
3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide
CID 110746066
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 95324326

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide (CID 60616745) is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)NC2CC(=O)N(C)C2)c1.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is YAQXSBUCHNTKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(2)17-16(23)19-12-6-4-5-11(7-12)15(22)18-13-8-14(21)20(3)9-13/h4-7,10,13H,8-9H2,1-3H3,(H,18,22)(H2,17,19,23).
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 318.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 60616745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).