1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea

C14H20N2O — CID 47133172

IUPAC1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NC(C)C2CC2)cc1
InChIInChI=1S/C14H20N2O/c1-3-11-4-8-13(9-5-11)16-14(17)15-10(2)12-6-7-12/h4-5,8-10,12H,3,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyINVBVZUZSWFITQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.17
Rot. Bonds4

About 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea

1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea (PubChem CID 47133172) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
PubChem CID47133172
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NC(C)C2CC2)cc1
InChIInChI=1S/C14H20N2O/c1-3-11-4-8-13(9-5-11)16-14(17)15-10(2)12-6-7-12/h4-5,8-10,12H,3,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyINVBVZUZSWFITQ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
CID 47133290
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
CID 63773425
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
3-[(4-ethylphenyl)carbamoylamino]butanoic acid
CID 61190715
2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61189704
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
(2S)-2-[(4-ethylphenyl)carbamoylamino]-4-methylpentanoate
CID 6956369

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea (CID 47133172) is 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NC(C)C2CC2)cc1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea?
The InChIKey is INVBVZUZSWFITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-11-4-8-13(9-5-11)16-14(17)15-10(2)12-6-7-12/h4-5,8-10,12H,3,6-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea?
1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea has a molecular weight of 232.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea is sourced from PubChem (CID 47133172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).