2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H30N4O3 — CID 3653296

IUPAC2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1cc(C)on1)C(=O)NCCCC
InChIInChI=1S/C17H30N4O3/c1-4-6-8-9-11-21(17(23)18-10-7-5-2)13-16(22)19-15-12-14(3)24-20-15/h12H,4-11,13H2,1-3H3,(H,18,23)(H,19,20,22)
InChIKeyBWMQIPUGXKAZHF-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.31
Rot. Bonds11

About 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3653296) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3653296
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1cc(C)on1)C(=O)NCCCC
InChIInChI=1S/C17H30N4O3/c1-4-6-8-9-11-21(17(23)18-10-7-5-2)13-16(22)19-15-12-14(3)24-20-15/h12H,4-11,13H2,1-3H3,(H,18,23)(H,19,20,22)
InChIKeyBWMQIPUGXKAZHF-UHFFFAOYSA-N
XLogP3.31
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.31
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(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3516799
2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768823
2-[hexyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3404528
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]decanamide
CID 42664092
N-butyl-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 24715040
2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 111120306
3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370392
2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4549592
N-butyl-3,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 5082370

Frequently Asked Questions

What is the IUPAC name of 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3653296) is 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCCCN(CC(=O)Nc1cc(C)on1)C(=O)NCCCC.
What is the InChIKey of 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BWMQIPUGXKAZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-4-6-8-9-11-21(17(23)18-10-7-5-2)13-16(22)19-15-12-14(3)24-20-15/h12H,4-11,13H2,1-3H3,(H,18,23)(H,19,20,22).
What are the key properties of 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.31, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3653296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).