2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide

C19H26N4O3 — CID 42769290

IUPAC2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H26N4O3/c1-2-3-4-8-12-23(15-18(24)21-17-11-13-26-22-17)19(25)20-14-16-9-6-5-7-10-16/h5-7,9-11,13H,2-4,8,12,14-15H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyCRONAPZCHMUKIO-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.41
Rot. Bonds10

About 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide

2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 42769290) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID42769290
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H26N4O3/c1-2-3-4-8-12-23(15-18(24)21-17-11-13-26-22-17)19(25)20-14-16-9-6-5-7-10-16/h5-7,9-11,13H,2-4,8,12,14-15H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyCRONAPZCHMUKIO-UHFFFAOYSA-N
XLogP3.41
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 4142043
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-hexyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42769041
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 5064786
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide
CID 42770937
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide
CID 4248802
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 814456

Frequently Asked Questions

What is the IUPAC name of 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide (CID 42769290) is 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide is CCCCCCN(CC(=O)Nc1ccon1)C(=O)NCc1ccccc1.
What is the InChIKey of 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is CRONAPZCHMUKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-3-4-8-12-23(15-18(24)21-17-11-13-26-22-17)19(25)20-14-16-9-6-5-7-10-16/h5-7,9-11,13H,2-4,8,12,14-15H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).