N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide

C16H22N4O3 — CID 95324326

IUPACN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C16H22N4O3/c1-10(2)18-16(23)20-12-5-3-4-11(8-12)15(22)17-9-13-6-7-14(21)19-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,17,22)(H,19,21)(H2,18,20,23)/t13-/m1/s1
InChIKeyJASQFPOAWCOGSS-CYBMUJFWSA-N
MW318.38 g/mol
LogP1.22
Rot. Bonds5

About N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 95324326) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID95324326
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C16H22N4O3/c1-10(2)18-16(23)20-12-5-3-4-11(8-12)15(22)17-9-13-6-7-14(21)19-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,17,22)(H,19,21)(H2,18,20,23)/t13-/m1/s1
InChIKeyJASQFPOAWCOGSS-CYBMUJFWSA-N
XLogP1.22
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120943789
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119426507
4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 110732273
2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
CID 119194825
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 95324326) is N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)NC[C@H]2CCC(=O)N2)c1.
What is the InChIKey of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is JASQFPOAWCOGSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(2)18-16(23)20-12-5-3-4-11(8-12)15(22)17-9-13-6-7-14(21)19-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,17,22)(H,19,21)(H2,18,20,23)/t13-/m1/s1.
What are the key properties of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 318.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 95324326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).