(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide

C18H19N3O4 — CID 95570799

IUPAC(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H19N3O4/c1-3-24-15-7-5-4-6-13(15)20-17(22)11(2)19-12-8-9-16-14(10-12)21-18(23)25-16/h4-11,19H,3H2,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyNILSVTASWWGNFY-LLVKDONJSA-N
MW341.37 g/mol
LogP2.96
Rot. Bonds6

About (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide

(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 95570799) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID95570799
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H19N3O4/c1-3-24-15-7-5-4-6-13(15)20-17(22)11(2)19-12-8-9-16-14(10-12)21-18(23)25-16/h4-11,19H,3H2,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyNILSVTASWWGNFY-LLVKDONJSA-N
XLogP2.96
TPSA96.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
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CID 51242335
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
(2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(2-ethoxyphenyl)propanamide
CID 37304550
(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 95307128
(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(2S)-2-phenylpropyl]propanamide
CID 95255142
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
2-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-N-(2-ethoxyphenyl)propanamide
CID 60542586
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide
CID 55684249
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760726

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide (CID 95570799) is (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide is CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is NILSVTASWWGNFY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-24-15-7-5-4-6-13(15)20-17(22)11(2)19-12-8-9-16-14(10-12)21-18(23)25-16/h4-11,19H,3H2,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 341.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 95570799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).