(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide

C16H22N2O3 — CID 94671367

IUPAC(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C16H22N2O3/c1-2-18(12-13-7-4-3-5-8-13)15(19)11-17-16(20)14-9-6-10-21-14/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyMHLUROCEUOMVPW-AWEZNQCLSA-N
MW290.36 g/mol
LogP1.33
Rot. Bonds6

About (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide

(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 94671367) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide
PubChem CID94671367
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C16H22N2O3/c1-2-18(12-13-7-4-3-5-8-13)15(19)11-17-16(20)14-9-6-10-21-14/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyMHLUROCEUOMVPW-AWEZNQCLSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000338
(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 51945893
(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 94671381
3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119750884
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119304521
1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750868
N-benzyl-N-ethyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide
CID 109448907
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
CID 112982284
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
N-[2-[benzyl(methyl)amino]-2-oxoethyl]morpholine-2-carboxamide
CID 119719407
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide (CID 94671367) is (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide is CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is MHLUROCEUOMVPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-18(12-13-7-4-3-5-8-13)15(19)11-17-16(20)14-9-6-10-21-14/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide?
(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 94671367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).