1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea

C14H20N2O — CID 47031896

IUPAC1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)NCC1CC1
InChIInChI=1S/C14H20N2O/c1-3-12-6-4-5-10(2)13(12)16-14(17)15-9-11-7-8-11/h4-6,11H,3,7-9H2,1-2H3,(H2,15,16,17)
InChIKeySPFFGEVRBOZXPT-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.09
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea

1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea (PubChem CID 47031896) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
PubChem CID47031896
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)NCC1CC1
InChIInChI=1S/C14H20N2O/c1-3-12-6-4-5-10(2)13(12)16-14(17)15-9-11-7-8-11/h4-6,11H,3,7-9H2,1-2H3,(H2,15,16,17)
InChIKeySPFFGEVRBOZXPT-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572889
2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide
CID 86795692
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
CID 119928048
1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842222
4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide
CID 19206885
cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106323996
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910219
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 47133545

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea (CID 47031896) is 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea is CCc1cccc(C)c1NC(=O)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea?
The InChIKey is SPFFGEVRBOZXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-12-6-4-5-10(2)13(12)16-14(17)15-9-11-7-8-11/h4-6,11H,3,7-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea?
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea has a molecular weight of 232.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea is sourced from PubChem (CID 47031896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).