N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide

C19H33N3O3 — CID 5121720

IUPACN-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCCC)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C19H33N3O3/c1-4-6-8-9-10-11-12-19(24)22(13-7-5-2)15-18(23)20-17-14-16(3)25-21-17/h14H,4-13,15H2,1-3H3,(H,20,21,23)
InChIKeyKUMNWGPEYNIHEU-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.30
Rot. Bonds13

About N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide

N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide (PubChem CID 5121720) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide.

Molecular Properties

Compound NameN-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
PubChem CID5121720
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCCC)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C19H33N3O3/c1-4-6-8-9-10-11-12-19(24)22(13-7-5-2)15-18(23)20-17-14-16(3)25-21-17/h14H,4-13,15H2,1-3H3,(H,20,21,23)
InChIKeyKUMNWGPEYNIHEU-UHFFFAOYSA-N
XLogP4.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]decanamide
CID 42664092
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4169989
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 4616355
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)hexanamide
CID 7297527
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 5007579
N-butyl-3,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 5082370
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-propan-2-yldodecanamide
CID 5168710
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4997300
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide?
The IUPAC name of N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide (CID 5121720) is N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide.
What is the SMILES notation for N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide?
The canonical SMILES for N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide is CCCCCCCCC(=O)N(CCCC)CC(=O)Nc1cc(C)on1.
What is the InChIKey of N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide?
The InChIKey is KUMNWGPEYNIHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-4-6-8-9-10-11-12-19(24)22(13-7-5-2)15-18(23)20-17-14-16(3)25-21-17/h14H,4-13,15H2,1-3H3,(H,20,21,23).
What are the key properties of N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide?
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide has a molecular weight of 351.49 g/mol, XLogP of 4.30, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide is sourced from PubChem (CID 5121720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).