2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid

C26H33N3O5 — CID 24992616

IUPAC2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(C(=O)NC(C)(C)C(=O)O)CC2)cc1
InChIInChI=1S/C26H33N3O5/c1-16-5-14-22(34-4)21(15-16)28-25(33)27-20-12-10-18(11-13-20)17-6-8-19(9-7-17)23(30)29-26(2,3)24(31)32/h5,10-15,17,19H,6-9H2,1-4H3,(H,29,30)(H,31,32)(H2,27,28,33)
InChIKeyPOGFKVCLSRGWDH-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.90
Rot. Bonds7

About 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid

2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid (PubChem CID 24992616) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid
PubChem CID24992616
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(C(=O)NC(C)(C)C(=O)O)CC2)cc1
InChIInChI=1S/C26H33N3O5/c1-16-5-14-22(34-4)21(15-16)28-25(33)27-20-12-10-18(11-13-20)17-6-8-19(9-7-17)23(30)29-26(2,3)24(31)32/h5,10-15,17,19H,6-9H2,1-4H3,(H,29,30)(H,31,32)(H2,27,28,33)
InChIKeyPOGFKVCLSRGWDH-UHFFFAOYSA-N
XLogP4.90
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
CID 59278786
methyl 2-[[2-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]-2-oxoethyl]amino]-2-methylpropanoate
CID 68588073
1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 71072413
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784
2-methyl-2-[[4-[4-[[(2R)-2-phenylcyclopropanecarbonyl]amino]phenyl]cyclohexanecarbonyl]amino]propanoic acid
CID 143736706
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 111976234

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid (CID 24992616) is 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid is COc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(C(=O)NC(C)(C)C(=O)O)CC2)cc1.
What is the InChIKey of 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid?
The InChIKey is POGFKVCLSRGWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-16-5-14-22(34-4)21(15-16)28-25(33)27-20-12-10-18(11-13-20)17-6-8-19(9-7-17)23(30)29-26(2,3)24(31)32/h5,10-15,17,19H,6-9H2,1-4H3,(H,29,30)(H,31,32)(H2,27,28,33).
What are the key properties of 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid?
2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid has a molecular weight of 467.57 g/mol, XLogP of 4.90, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 24992616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).