2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide

C21H24N4O3 — CID 42769320

IUPAC2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H24N4O3/c1-15(2)10-12-25(14-20(26)23-19-11-13-28-24-19)21(27)22-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyLCSMSVHZPSAMMR-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.35
Rot. Bonds7

About 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide

2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 42769320) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID42769320
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H24N4O3/c1-15(2)10-12-25(14-20(26)23-19-11-13-28-24-19)21(27)22-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyLCSMSVHZPSAMMR-UHFFFAOYSA-N
XLogP4.35
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 4087473
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 5097519
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 813823
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769288
2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769264
N-(3-methylbutyl)-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4078312
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771763
2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769178
4-hexyl-N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087378

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide (CID 42769320) is 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide is CC(C)CCN(CC(=O)Nc1ccon1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is LCSMSVHZPSAMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(2)10-12-25(14-20(26)23-19-11-13-28-24-19)21(27)22-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,22,27)(H,23,24,26).
What are the key properties of 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).