methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

C20H32N2O4 — CID 3745244

IUPACmethyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCCCCc1ccc(NC(=O)NC(COC(C)(C)C)C(=O)OC)c(C)c1
InChIInChI=1S/C20H32N2O4/c1-7-8-9-15-10-11-16(14(2)12-15)21-19(24)22-17(18(23)25-6)13-26-20(3,4)5/h10-12,17H,7-9,13H2,1-6H3,(H2,21,22,24)
InChIKeyYKICNKQBGNMAQX-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.82
Rot. Bonds8

About methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 3745244) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID3745244
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Namemethyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCCCCc1ccc(NC(=O)NC(COC(C)(C)C)C(=O)OC)c(C)c1
InChIInChI=1S/C20H32N2O4/c1-7-8-9-15-10-11-16(14(2)12-15)21-19(24)22-17(18(23)25-6)13-26-20(3,4)5/h10-12,17H,7-9,13H2,1-6H3,(H2,21,22,24)
InChIKeyYKICNKQBGNMAQX-UHFFFAOYSA-N
XLogP3.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate with MolForge

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Related Compounds

methyl 2-[(2,6-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3701206
methyl 2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3773328
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579
tert-butyl 2-[(4-methoxy-2-methylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 5018735
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
CID 43408407
tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3766020
methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate
CID 3806589
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
CID 7660335
methyl 6-[(4-butyl-2-methylphenyl)carbamothioylamino]hexanoate
CID 3761063
2-(4-butyl-2-methylanilino)ethene-1,1,2-tricarbonitrile
CID 168606487
methyl 2-acetamido-3-(4-butylphenoxy)propanoate
CID 115492132
1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea
CID 3705190

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 3745244) is methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is CCCCc1ccc(NC(=O)NC(COC(C)(C)C)C(=O)OC)c(C)c1.
What is the InChIKey of methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is YKICNKQBGNMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-7-8-9-15-10-11-16(14(2)12-15)21-19(24)22-17(18(23)25-6)13-26-20(3,4)5/h10-12,17H,7-9,13H2,1-6H3,(H2,21,22,24).
What are the key properties of methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 364.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 3745244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).