(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide

C15H22N2O2 — CID 99576902

IUPAC(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
SMILESCN(CCNC(=O)[C@@H]1CCCCO1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-17(13-7-3-2-4-8-13)11-10-16-15(18)14-9-5-6-12-19-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyUZYAJOXLHDWOMN-AWEZNQCLSA-N
MW262.35 g/mol
LogP1.81
Rot. Bonds5

About (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide

(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide (PubChem CID 99576902) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
PubChem CID99576902
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
SMILESCN(CCNC(=O)[C@@H]1CCCCO1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-17(13-7-3-2-4-8-13)11-10-16-15(18)14-9-5-6-12-19-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyUZYAJOXLHDWOMN-AWEZNQCLSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
cis-(1R,2S)-2-[2-(N-methylanilino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124524957
(2R)-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 103813393
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
CID 99932597
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 108542472
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide (CID 99576902) is (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide is CN(CCNC(=O)[C@@H]1CCCCO1)c1ccccc1.
What is the InChIKey of (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide?
The InChIKey is UZYAJOXLHDWOMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(13-7-3-2-4-8-13)11-10-16-15(18)14-9-5-6-12-19-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide?
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide is sourced from PubChem (CID 99576902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).