methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate

C19H22N2O3 — CID 47039832

IUPACmethyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N(C)CCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-21(14-6-9-15-7-4-3-5-8-15)19(23)20-17-12-10-16(11-13-17)18(22)24-2/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,20,23)
InChIKeyWVXBKUMYDCCLCX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.57
Rot. Bonds6

About methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate

methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate (PubChem CID 47039832) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate
PubChem CID47039832
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N(C)CCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-21(14-6-9-15-7-4-3-5-8-15)19(23)20-17-12-10-16(11-13-17)18(22)24-2/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,20,23)
InChIKeyWVXBKUMYDCCLCX-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide
CID 55702135
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108518797
methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 4628169
methyl 4-[[3-[benzyl(methyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108946152
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523
methyl 4-[[2-(3-phenylpropylsulfonylamino)acetyl]amino]benzoate
CID 112999988
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
1-(3-bromopropyl)-1-methyl-3-phenylurea
CID 106441527
1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
CID 166209637
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate?
The IUPAC name of methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate (CID 47039832) is methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)N(C)CCCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate?
The InChIKey is WVXBKUMYDCCLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(14-6-9-15-7-4-3-5-8-15)19(23)20-17-12-10-16(11-13-17)18(22)24-2/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,20,23).
What are the key properties of methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate?
methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate is sourced from PubChem (CID 47039832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).