2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide

C21H30N4O3 — CID 42769288

IUPAC2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H30N4O3/c1-6-11-25(13-19(26)22-18-10-12-28-24-18)21(27)23-20-16(14(2)3)8-7-9-17(20)15(4)5/h7-10,12,14-15H,6,11,13H2,1-5H3,(H,23,27)(H,22,24,26)
InChIKeyOGSHSUMWECKHGI-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.80
Rot. Bonds8

About 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide

2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 42769288) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID42769288
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H30N4O3/c1-6-11-25(13-19(26)22-18-10-12-28-24-18)21(27)23-20-16(14(2)3)8-7-9-17(20)15(4)5/h7-10,12,14-15H,6,11,13H2,1-5H3,(H,23,27)(H,22,24,26)
InChIKeyOGSHSUMWECKHGI-UHFFFAOYSA-N
XLogP4.80
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2-oxazol-3-yl)-1,1-dipropylurea
CID 108811952
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 813823
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2,2-diphenyl-N-propylacetamide
CID 42769030
2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3682537
3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
CID 813670
(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide
CID 7301914
2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769320
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
CID 3524528
3-chloro-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
CID 4114305
N-ethyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 814450

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide (CID 42769288) is 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide is CCCN(CC(=O)Nc1ccon1)C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is OGSHSUMWECKHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-6-11-25(13-19(26)22-18-10-12-28-24-18)21(27)23-20-16(14(2)3)8-7-9-17(20)15(4)5/h7-10,12,14-15H,6,11,13H2,1-5H3,(H,23,27)(H,22,24,26).
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).