1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C15H22N2O2 — CID 111572889

IUPAC1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCc1cccc(C)c1NC(=O)NCC1(CO)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-6-4-5-11(2)13(12)17-14(19)16-9-15(10-18)7-8-15/h4-6,18H,3,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyBZEIVZGIFLHWFR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111572889) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111572889
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCc1cccc(C)c1NC(=O)NCC1(CO)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-6-4-5-11(2)13(12)17-14(19)16-9-15(10-18)7-8-15/h4-6,18H,3,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyBZEIVZGIFLHWFR-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 94822914
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910219
1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842222
(2S)-2-[(2-ethyl-6-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 28508827
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108870117
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618253
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111572889) is 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is CCc1cccc(C)c1NC(=O)NCC1(CO)CC1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is BZEIVZGIFLHWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-6-4-5-11(2)13(12)17-14(19)16-9-15(10-18)7-8-15/h4-6,18H,3,7-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 262.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111572889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).