methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate

C26H27N5O5 — CID 11145392

IUPACmethyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1cccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)c1
InChIInChI=1S/C26H27N5O5/c1-17-6-3-4-9-22(17)31-26(35)29-19-12-10-18(11-13-19)14-23(32)28-20-7-5-8-21(15-20)30-25(34)27-16-24(33)36-2/h3-13,15H,14,16H2,1-2H3,(H,28,32)(H2,27,30,34)(H2,29,31,35)
InChIKeyHEWPJEPVKHSEDR-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.11
Rot. Bonds8

About methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate

methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate (PubChem CID 11145392) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate
PubChem CID11145392
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Namemethyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1cccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)c1
InChIInChI=1S/C26H27N5O5/c1-17-6-3-4-9-22(17)31-26(35)29-19-12-10-18(11-13-19)14-23(32)28-20-7-5-8-21(15-20)30-25(34)27-16-24(33)36-2/h3-13,15H,14,16H2,1-2H3,(H,28,32)(H2,27,30,34)(H2,29,31,35)
InChIKeyHEWPJEPVKHSEDR-UHFFFAOYSA-N
XLogP4.11
TPSA137.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate with MolForge

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Related Compounds

1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
ethane;5-[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]pentanoic acid
CID 158602731
4-[2-methoxy-5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]butanoic acid
CID 58599326
ethane;4-[4-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]butanoic acid
CID 158565668
methyl 3-[[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]amino]-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 143818662
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
4-[3-ethoxy-5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]butanoic acid
CID 20616422
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
tert-butyl 4-[2-(4-methoxy-4-oxobutoxy)-4-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]piperidine-1-carboxylate
CID 142076366

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate?
The IUPAC name of methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate (CID 11145392) is methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate?
The canonical SMILES for methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate is COC(=O)CNC(=O)Nc1cccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)c1.
What is the InChIKey of methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate?
The InChIKey is HEWPJEPVKHSEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-17-6-3-4-9-22(17)31-26(35)29-19-12-10-18(11-13-19)14-23(32)28-20-7-5-8-21(15-20)30-25(34)27-16-24(33)36-2/h3-13,15H,14,16H2,1-2H3,(H,28,32)(H2,27,30,34)(H2,29,31,35).
What are the key properties of methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate?
methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate has a molecular weight of 489.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate is sourced from PubChem (CID 11145392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).