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

C19H33N3O3 — CID 4997300

IUPACN-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)CC
InChIInChI=1S/C19H33N3O3/c1-5-7-8-9-10-11-12-19(24)22(15(3)6-2)14-18(23)20-17-13-16(4)25-21-17/h13,15H,5-12,14H2,1-4H3,(H,20,21,23)
InChIKeyVJTQLJVPFVCPPR-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.30
Rot. Bonds12

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

N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide (PubChem CID 4997300) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
PubChem CID4997300
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)CC
InChIInChI=1S/C19H33N3O3/c1-5-7-8-9-10-11-12-19(24)22(15(3)6-2)14-18(23)20-17-13-16(4)25-21-17/h13,15H,5-12,14H2,1-4H3,(H,20,21,23)
InChIKeyVJTQLJVPFVCPPR-UHFFFAOYSA-N
XLogP4.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
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'}

Analyze N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide
CID 5168710
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
CID 5097311
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide
CID 5168715
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium
CID 7331089
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]decanamide
CID 42664092
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4169989
2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4099510
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-pentylpropanamide
CID 24715041
N-butan-2-yl-4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3559982
2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide?
The IUPAC name of N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide (CID 4997300) is N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide?
The canonical SMILES for N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide is CCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide?
The InChIKey is VJTQLJVPFVCPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-5-7-8-9-10-11-12-19(24)22(15(3)6-2)14-18(23)20-17-13-16(4)25-21-17/h13,15H,5-12,14H2,1-4H3,(H,20,21,23).
What are the key properties of N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide?
N-butan-2-yl-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, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide is sourced from PubChem (CID 4997300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).