1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea

C13H18N2O — CID 5188255

IUPAC1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCC2CC2)c1
InChIInChI=1S/C13H18N2O/c1-9-5-10(2)7-12(6-9)15-13(16)14-8-11-3-4-11/h5-7,11H,3-4,8H2,1-2H3,(H2,14,15,16)
InChIKeyMNNHHUGIMQJFRE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.83
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea

1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea (PubChem CID 5188255) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
PubChem CID5188255
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCC2CC2)c1
InChIInChI=1S/C13H18N2O/c1-9-5-10(2)7-12(6-9)15-13(16)14-8-11-3-4-11/h5-7,11H,3-4,8H2,1-2H3,(H2,14,15,16)
InChIKeyMNNHHUGIMQJFRE-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 47194881
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
CID 22430442
5-(cyclopropylmethylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 61183183
5-(cyclopropylmethylcarbamoylamino)-2,3-dimethylbenzoic acid
CID 63023487
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide
CID 119046448
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108912803
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(3,5-dimethylphenyl)-3-[[3-[(3,5-dimethylphenyl)carbamoylamino]-2,2-dimethylcyclobutyl]methyl]urea
CID 170908254
1-(3,5-dibromophenyl)-3-[[3-[[(3,5-dibromophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 10122790

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea (CID 5188255) is 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)NCC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea?
The InChIKey is MNNHHUGIMQJFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-5-10(2)7-12(6-9)15-13(16)14-8-11-3-4-11/h5-7,11H,3-4,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea?
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea has a molecular weight of 218.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 5188255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).