N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C20H26N4O3 — CID 47839065

IUPACN-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CCN(C2CC2)C1
InChIInChI=1S/C20H26N4O3/c25-18(22-15-9-11-23(13-15)16-7-8-16)12-21-20(27)14-3-5-17(6-4-14)24-10-1-2-19(24)26/h3-6,15-16H,1-2,7-13H2,(H,21,27)(H,22,25)
InChIKeyHXXPYLBKCMTWRY-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.90
Rot. Bonds6

About N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 47839065) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID47839065
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CCN(C2CC2)C1
InChIInChI=1S/C20H26N4O3/c25-18(22-15-9-11-23(13-15)16-7-8-16)12-21-20(27)14-3-5-17(6-4-14)24-10-1-2-19(24)26/h3-6,15-16H,1-2,7-13H2,(H,21,27)(H,22,25)
InChIKeyHXXPYLBKCMTWRY-UHFFFAOYSA-N
XLogP0.90
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41045423
N-[2-[[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9451102
N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 86960228
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51273786
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41375622
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 47839065) is N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CCN(C2CC2)C1.
What is the InChIKey of N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HXXPYLBKCMTWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-18(22-15-9-11-23(13-15)16-7-8-16)12-21-20(27)14-3-5-17(6-4-14)24-10-1-2-19(24)26/h3-6,15-16H,1-2,7-13H2,(H,21,27)(H,22,25).
What are the key properties of N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 47839065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).