1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

C14H20N2O3 — CID 111457988

IUPAC1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OCCO)NCC1CC1
InChIInChI=1S/C14H20N2O3/c17-7-8-19-13-4-2-1-3-12(13)10-16-14(18)15-9-11-5-6-11/h1-4,11,17H,5-10H2,(H2,15,16,18)
InChIKeyLLFQWJRLHBZEBH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (PubChem CID 111457988) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
PubChem CID111457988
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OCCO)NCC1CC1
InChIInChI=1S/C14H20N2O3/c17-7-8-19-13-4-2-1-3-12(13)10-16-14(18)15-9-11-5-6-11/h1-4,11,17H,5-10H2,(H2,15,16,18)
InChIKeyLLFQWJRLHBZEBH-UHFFFAOYSA-N
XLogP1.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 75373343
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457998
1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458038
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71868134
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
CID 111457991
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea
CID 111459234
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459047
1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457941
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (CID 111457988) is 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is O=C(NCc1ccccc1OCCO)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The InChIKey is LLFQWJRLHBZEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-7-8-19-13-4-2-1-3-12(13)10-16-14(18)15-9-11-5-6-11/h1-4,11,17H,5-10H2,(H2,15,16,18).
What are the key properties of 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea has a molecular weight of 264.32 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is sourced from PubChem (CID 111457988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).