N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide

C24H28N4O3 — CID 54341991

IUPACN-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)NC(CC(C)C)c2ncco2)cc1
InChIInChI=1S/C24H28N4O3/c1-16(2)14-21(23-25-12-13-31-23)27-22(29)15-18-8-10-19(11-9-18)26-24(30)28-20-7-5-4-6-17(20)3/h4-13,16,21H,14-15H2,1-3H3,(H,27,29)(H2,26,28,30)
InChIKeyXFIRYUUGQOKWDX-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.07
Rot. Bonds8

About N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide

N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide (PubChem CID 54341991) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide
PubChem CID54341991
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)NC(CC(C)C)c2ncco2)cc1
InChIInChI=1S/C24H28N4O3/c1-16(2)14-21(23-25-12-13-31-23)27-22(29)15-18-8-10-19(11-9-18)26-24(30)28-20-7-5-4-6-17(20)3/h4-13,16,21H,14-15H2,1-3H3,(H,27,29)(H2,26,28,30)
InChIKeyXFIRYUUGQOKWDX-UHFFFAOYSA-N
XLogP5.07
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide (CID 54341991) is N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide is Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NC(CC(C)C)c2ncco2)cc1.
What is the InChIKey of N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is XFIRYUUGQOKWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(2)14-21(23-25-12-13-31-23)27-22(29)15-18-8-10-19(11-9-18)26-24(30)28-20-7-5-4-6-17(20)3/h4-13,16,21H,14-15H2,1-3H3,(H,27,29)(H2,26,28,30).
What are the key properties of N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide?
N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 5.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(1,3-oxazol-2-yl)butyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 54341991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).