methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate

C20H24N2O4 — CID 43066055

IUPACmethyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)NC(C)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-14(3-4-15-7-11-18(23)12-8-15)22-20(25)21-13-16-5-9-17(10-6-16)19(24)26-2/h5-12,14,23H,3-4,13H2,1-2H3,(H2,21,22,25)
InChIKeyFASLCWJZHCWBNA-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.00
Rot. Bonds7

About methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate

methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate (PubChem CID 43066055) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate
PubChem CID43066055
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)NC(C)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-14(3-4-15-7-11-18(23)12-8-15)22-20(25)21-13-16-5-9-17(10-6-16)19(24)26-2/h5-12,14,23H,3-4,13H2,1-2H3,(H2,21,22,25)
InChIKeyFASLCWJZHCWBNA-UHFFFAOYSA-N
XLogP3.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
methyl 4-[[1-(4-hydroxyphenoxy)ethylcarbamoylamino]methyl]benzoate
CID 108871239
methyl 4-[(1-phenylethylcarbamoylamino)methyl]benzoate
CID 127567013
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111337923
1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111103971
1-[(2,5-dimethylphenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974029
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzoate
CID 122389859
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 25489004
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210
4-[[[(2R)-1-methoxypropan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122008675

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate (CID 43066055) is methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)NC(C)CCc2ccc(O)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate?
The InChIKey is FASLCWJZHCWBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(3-4-15-7-11-18(23)12-8-15)22-20(25)21-13-16-5-9-17(10-6-16)19(24)26-2/h5-12,14,23H,3-4,13H2,1-2H3,(H2,21,22,25).
What are the key properties of methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate?
methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate has a molecular weight of 356.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate is sourced from PubChem (CID 43066055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).