N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C26H26N4O4 — CID 55817540

IUPACN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)CCCn3c(=O)oc4ccccc43)c2)c1
InChIInChI=1S/C26H26N4O4/c1-18-7-4-9-20(15-18)28-25(32)29-21-10-5-8-19(16-21)17-27-24(31)13-6-14-30-22-11-2-3-12-23(22)34-26(30)33/h2-5,7-12,15-16H,6,13-14,17H2,1H3,(H,27,31)(H2,28,29,32)
InChIKeyHXQQBPJOPOHNPN-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.64
Rot. Bonds8

About N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 55817540) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID55817540
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)CCCn3c(=O)oc4ccccc43)c2)c1
InChIInChI=1S/C26H26N4O4/c1-18-7-4-9-20(15-18)28-25(32)29-21-10-5-8-19(16-21)17-27-24(31)13-6-14-30-22-11-2-3-12-23(22)34-26(30)33/h2-5,7-12,15-16H,6,13-14,17H2,1H3,(H,27,31)(H2,28,29,32)
InChIKeyHXQQBPJOPOHNPN-UHFFFAOYSA-N
XLogP4.64
TPSA105.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide with MolForge

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Related Compounds

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47088605
7-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]heptanamide;hydrochloride
CID 119719678
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46454589
N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 31290190
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55958052
1-(3-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50820812
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46425090
N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 39971590
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24514497

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 55817540) is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CCCn3c(=O)oc4ccccc43)c2)c1.
What is the InChIKey of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is HXQQBPJOPOHNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-18-7-4-9-20(15-18)28-25(32)29-21-10-5-8-19(16-21)17-27-24(31)13-6-14-30-22-11-2-3-12-23(22)34-26(30)33/h2-5,7-12,15-16H,6,13-14,17H2,1H3,(H,27,31)(H2,28,29,32).
What are the key properties of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 458.52 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 55817540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).