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

C18H22N4O4 — CID 51271024

IUPACN-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCc1cc(NC(=O)CN(C)C(=O)CC(C)NC(=O)c2ccccc2)no1
InChIInChI=1S/C18H22N4O4/c1-12(19-18(25)14-7-5-4-6-8-14)9-17(24)22(3)11-16(23)20-15-10-13(2)26-21-15/h4-8,10,12H,9,11H2,1-3H3,(H,19,25)(H,20,21,23)
InChIKeyCTNHMQOHIFUQRN-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.59
Rot. Bonds7

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

N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide (PubChem CID 51271024) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide
PubChem CID51271024
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCc1cc(NC(=O)CN(C)C(=O)CC(C)NC(=O)c2ccccc2)no1
InChIInChI=1S/C18H22N4O4/c1-12(19-18(25)14-7-5-4-6-8-14)9-17(24)22(3)11-16(23)20-15-10-13(2)26-21-15/h4-8,10,12H,9,11H2,1-3H3,(H,19,25)(H,20,21,23)
InChIKeyCTNHMQOHIFUQRN-UHFFFAOYSA-N
XLogP1.59
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide
CID 55379421
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate
CID 55450290
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947783
4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
CID 51267351
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
4-hydroxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 79203580
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide (CID 51271024) is N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide is Cc1cc(NC(=O)CN(C)C(=O)CC(C)NC(=O)c2ccccc2)no1.
What is the InChIKey of N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is CTNHMQOHIFUQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12(19-18(25)14-7-5-4-6-8-14)9-17(24)22(3)11-16(23)20-15-10-13(2)26-21-15/h4-8,10,12H,9,11H2,1-3H3,(H,19,25)(H,20,21,23).
What are the key properties of N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide?
N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 358.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51271024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).