(2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide

C20H22N2O3 — CID 94537928

IUPAC(2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide
SMILESNC(=O)CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C20H22N2O3/c21-19(23)14-22(20(24)18-7-4-12-25-18)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,21,23)/t18-/m0/s1
InChIKeyGAQLDASIYBCKON-SFHVURJKSA-N
MW338.41 g/mol
LogP2.35
Rot. Bonds6

About (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide

(2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 94537928) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide
PubChem CID94537928
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide
SMILESNC(=O)CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C20H22N2O3/c21-19(23)14-22(20(24)18-7-4-12-25-18)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,21,23)/t18-/m0/s1
InChIKeyGAQLDASIYBCKON-SFHVURJKSA-N
XLogP2.35
TPSA72.63 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
CID 99834856
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]oxane-2-carboxamide
CID 99948837
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255
(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide
CID 91662725
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 51081068
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
CID 95785400
N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide
CID 42789365

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide (CID 94537928) is (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide is NC(=O)CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is GAQLDASIYBCKON-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-19(23)14-22(20(24)18-7-4-12-25-18)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,21,23)/t18-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide?
(2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 94537928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).