N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H23N3O3 — CID 131922083

IUPACN-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCNC(=O)CCc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-22-19(25)13-10-15-5-2-3-6-18(15)23-21(27)16-8-11-17(12-9-16)24-14-4-7-20(24)26/h2-3,5-6,8-9,11-12H,4,7,10,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyMSBPCVKJCXTVNM-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.74
Rot. Bonds6

About N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 131922083) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID131922083
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCNC(=O)CCc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-22-19(25)13-10-15-5-2-3-6-18(15)23-21(27)16-8-11-17(12-9-16)24-14-4-7-20(24)26/h2-3,5-6,8-9,11-12H,4,7,10,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyMSBPCVKJCXTVNM-UHFFFAOYSA-N
XLogP2.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7750845
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N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131932897
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
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N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride
CID 120604511
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CID 24681364
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43073960
4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33372865
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 131922083) is N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CNC(=O)CCc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MSBPCVKJCXTVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-22-19(25)13-10-15-5-2-3-6-18(15)23-21(27)16-8-11-17(12-9-16)24-14-4-7-20(24)26/h2-3,5-6,8-9,11-12H,4,7,10,13-14H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 131922083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).