1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea

C18H28N2O2 — CID 87004129

IUPAC1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea
SMILESCCCOc1ccc(CNC(=O)N(CCC)CC2CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-11-20(14-16-5-6-16)18(21)19-13-15-7-9-17(10-8-15)22-12-4-2/h7-10,16H,3-6,11-14H2,1-2H3,(H,19,21)
InChIKeyKWFYXAOLDJGFFJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.81
Rot. Bonds9

About 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea

1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea (PubChem CID 87004129) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea
PubChem CID87004129
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea
SMILESCCCOc1ccc(CNC(=O)N(CCC)CC2CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-11-20(14-16-5-6-16)18(21)19-13-15-7-9-17(10-8-15)22-12-4-2/h7-10,16H,3-6,11-14H2,1-2H3,(H,19,21)
InChIKeyKWFYXAOLDJGFFJ-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
CID 108884488
1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea
CID 87004087
1-methyl-1-(1-oxothian-4-yl)-3-[(4-propoxyphenyl)methyl]urea
CID 75438756
3-[4-[2-[benzylcarbamoyl(cyclopentylmethyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22230233
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]benzoic acid
CID 61442889
3-[4-[2-[cyclopentylmethyl-[(4-fluorophenyl)methylcarbamoyl]amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22233429
4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
CID 119714363
3-[4-[2-[butylcarbamoyl(cyclopentylmethyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22230259
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
1-[(4-fluorophenyl)methyl]-3-[[4-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 156782442
2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
CID 82109238

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea (CID 87004129) is 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea is CCCOc1ccc(CNC(=O)N(CCC)CC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea?
The InChIKey is KWFYXAOLDJGFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-11-20(14-16-5-6-16)18(21)19-13-15-7-9-17(10-8-15)22-12-4-2/h7-10,16H,3-6,11-14H2,1-2H3,(H,19,21).
What are the key properties of 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea?
1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea has a molecular weight of 304.43 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea is sourced from PubChem (CID 87004129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).