N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide

C20H21N3O3 — CID 167852166

IUPACN-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide
SMILESO=C(NC1CC1)C(NCCn1c(=O)oc2ccccc21)c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-19(22-15-10-11-15)18(14-6-2-1-3-7-14)21-12-13-23-16-8-4-5-9-17(16)26-20(23)25/h1-9,15,18,21H,10-13H2,(H,22,24)
InChIKeyMJPWBZYAOOWPRH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.20
Rot. Bonds7

About N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide

N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide (PubChem CID 167852166) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide
PubChem CID167852166
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide
SMILESO=C(NC1CC1)C(NCCn1c(=O)oc2ccccc21)c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-19(22-15-10-11-15)18(14-6-2-1-3-7-14)21-12-13-23-16-8-4-5-9-17(16)26-20(23)25/h1-9,15,18,21H,10-13H2,(H,22,24)
InChIKeyMJPWBZYAOOWPRH-UHFFFAOYSA-N
XLogP2.20
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122001108
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
CID 55087543
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
CID 9286106
[3-(cyclopropylcarbamoyl)phenyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 87006531
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 24542983
3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
CID 55087544
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167448
3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid
CID 60838868
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
(2R)-N-cyclopropyl-2-phenyl-2-(pyridin-2-ylmethylamino)acetamide
CID 51643345

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide (CID 167852166) is N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide is O=C(NC1CC1)C(NCCn1c(=O)oc2ccccc21)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide?
The InChIKey is MJPWBZYAOOWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19(22-15-10-11-15)18(14-6-2-1-3-7-14)21-12-13-23-16-8-4-5-9-17(16)26-20(23)25/h1-9,15,18,21H,10-13H2,(H,22,24).
What are the key properties of N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide?
N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide has a molecular weight of 351.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 167852166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).