N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide

C20H22N2O3 — CID 113000338

IUPACN-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccccc1)c1ccccc1)C1CCCO1
InChIInChI=1S/C20H22N2O3/c23-19(14-21-20(24)18-12-7-13-25-18)22(17-10-5-2-6-11-17)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,21,24)
InChIKeyJPANGLSZRUKEFE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide

N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 113000338) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID113000338
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccccc1)c1ccccc1)C1CCCO1
InChIInChI=1S/C20H22N2O3/c23-19(14-21-20(24)18-12-7-13-25-18)22(17-10-5-2-6-11-17)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,21,24)
InChIKeyJPANGLSZRUKEFE-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 94671367
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
CID 95785400
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
CID 112982284
N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 119691200
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide
CID 100849813
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 51945893
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide (CID 113000338) is N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide is O=C(NCC(=O)N(Cc1ccccc1)c1ccccc1)C1CCCO1.
What is the InChIKey of N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is JPANGLSZRUKEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(14-21-20(24)18-12-7-13-25-18)22(17-10-5-2-6-11-17)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,21,24).
What are the key properties of N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113000338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).