N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C16H20N2O3 — CID 3245557

IUPACN-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H20N2O3/c19-15-7-2-8-18(15)13-5-1-4-12(10-13)16(20)17-11-14-6-3-9-21-14/h1,4-5,10,14H,2-3,6-9,11H2,(H,17,20)
InChIKeyZZMQUPTVPXBSMV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.72
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3245557) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3245557
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H20N2O3/c19-15-7-2-8-18(15)13-5-1-4-12(10-13)16(20)17-11-14-6-3-9-21-14/h1,4-5,10,14H,2-3,6-9,11H2,(H,17,20)
InChIKeyZZMQUPTVPXBSMV-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 4916601
Cambridge id 7093803
CID 2925804
3-nitro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
CID 2948274
3-benzamido-N-(oxolan-2-ylmethyl)benzamide
CID 3747400
N-(tetrahydrofuran-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 4320239
3-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)benzamide
CID 6621946
N-[3-(diethylcarbamoyl)phenyl]-2,3-dihydro-p-dioxin-5-carboxamide
CID 9441134
3-(2-Oxo-pyrrolidin-1-yl)-N-phenyl-benzamide
CID 648738
5-amino-2-(tetrahydro-2-furanylmethyl)-1H-isoindole-1,3(2H)-dione
CID 2925042
2-(2-oxo-1-benzo[cd]indolyl)-N-(2-oxolanylmethyl)acetamide
CID 2947859
Methyl (4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)carbamate
CID 2961671
Ethyl 4-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}phenylcarbamate
CID 3237182

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 3245557) is N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCC1CCCO1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ZZMQUPTVPXBSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15-7-2-8-18(15)13-5-1-4-12(10-13)16(20)17-11-14-6-3-9-21-14/h1,4-5,10,14H,2-3,6-9,11H2,(H,17,20).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3245557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).