1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea

C13H18N2O — CID 51641371

IUPAC1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](C)C2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-9-3-7-12(8-4-9)15-13(16)14-10(2)11-5-6-11/h3-4,7-8,10-11H,5-6H2,1-2H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyUUAMFQYJHNXPCL-JTQLQIEISA-N
MW218.30 g/mol
LogP2.92
Rot. Bonds3

About 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea

1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea (PubChem CID 51641371) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
PubChem CID51641371
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](C)C2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-9-3-7-12(8-4-9)15-13(16)14-10(2)11-5-6-11/h3-4,7-8,10-11H,5-6H2,1-2H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyUUAMFQYJHNXPCL-JTQLQIEISA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
CID 47133172
1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
CID 47133290
1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea
CID 47133216
2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
CID 63773425
1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea
CID 162350823
2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide
CID 60714008
1-(4-methylphenyl)-3-propan-2-yloxyurea
CID 5118851
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide
CID 47138042
4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea
CID 55069368

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea (CID 51641371) is 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N[C@@H](C)C2CC2)cc1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea?
The InChIKey is UUAMFQYJHNXPCL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-3-7-12(8-4-9)15-13(16)14-10(2)11-5-6-11/h3-4,7-8,10-11H,5-6H2,1-2H3,(H2,14,15,16)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea?
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea has a molecular weight of 218.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 51641371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).