dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium

C21H26N3O2+ — CID 8938357

IUPACdimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium
SMILESC[NH+](C)C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(2)15-19(16-8-4-3-5-9-16)22-21(26)17-10-6-11-18(14-17)24-13-7-12-20(24)25/h3-6,8-11,14,19H,7,12-13,15H2,1-2H3,(H,22,26)/p+1/t19-/m0/s1
InChIKeyCBSCCFLKKCZZGG-IBGZPJMESA-O
MW352.46 g/mol
LogP1.43
Rot. Bonds6

About dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium

dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium (PubChem CID 8938357) has the molecular formula C21H26N3O2+ and a molecular weight of 352.46 g/mol. Its IUPAC name is dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium
PubChem CID8938357
Molecular FormulaC21H26N3O2+
Molecular Weight352.46 g/mol
Exact Mass352.20
IUPAC Namedimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium
SMILESC[NH+](C)C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(2)15-19(16-8-4-3-5-9-16)22-21(26)17-10-6-11-18(14-17)24-13-7-12-20(24)25/h3-6,8-11,14,19H,7,12-13,15H2,1-2H3,(H,22,26)/p+1/t19-/m0/s1
InChIKeyCBSCCFLKKCZZGG-IBGZPJMESA-O
XLogP1.43
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 51521923
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110306227
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 133199704
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 100639599
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
(E)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120692659
2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 46828137

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium?
The IUPAC name of dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium (CID 8938357) is dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium.
What is the SMILES notation for dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium?
The canonical SMILES for dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium is C[NH+](C)C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium?
The InChIKey is CBSCCFLKKCZZGG-IBGZPJMESA-O. The full InChI is InChI=1S/C21H25N3O2/c1-23(2)15-19(16-8-4-3-5-9-16)22-21(26)17-10-6-11-18(14-17)24-13-7-12-20(24)25/h3-6,8-11,14,19H,7,12-13,15H2,1-2H3,(H,22,26)/p+1/t19-/m0/s1.
What are the key properties of dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium?
dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium has a molecular weight of 352.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium is sourced from PubChem (CID 8938357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).