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

C21H29N3O4 — CID 5082068

IUPAC4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CCCC)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C21H29N3O4/c1-4-6-12-24(15-20(25)22-19-14-16(3)28-23-19)21(26)17-8-10-18(11-9-17)27-13-7-5-2/h8-11,14H,4-7,12-13,15H2,1-3H3,(H,22,23,25)
InChIKeyQPLMYCCETXVICG-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.04
Rot. Bonds11

About 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 5082068) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID5082068
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CCCC)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C21H29N3O4/c1-4-6-12-24(15-20(25)22-19-14-16(3)28-23-19)21(26)17-8-10-18(11-9-17)27-13-7-5-2/h8-11,14H,4-7,12-13,15H2,1-3H3,(H,22,23,25)
InChIKeyQPLMYCCETXVICG-UHFFFAOYSA-N
XLogP4.04
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7262304
N-(2-methoxyethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 42768952
N-butyl-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 24715040
4-chloro-N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770323
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 4083024
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
2-[ethylcarbamoyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3516799
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenoxyacetyl)-propylamino]acetamide
CID 4117230
4-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4179187

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 5082068) is 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)N(CCCC)CC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is QPLMYCCETXVICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-4-6-12-24(15-20(25)22-19-14-16(3)28-23-19)21(26)17-8-10-18(11-9-17)27-13-7-5-2/h8-11,14H,4-7,12-13,15H2,1-3H3,(H,22,23,25).
What are the key properties of 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.04, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 5082068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).