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

C14H20N2O2 — CID 47133290

IUPAC1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NC(C)C2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-3-18-13-8-6-12(7-9-13)16-14(17)15-10(2)11-4-5-11/h6-11H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyLGNLCFACQVNHNO-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.01
Rot. Bonds5

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

1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea (PubChem CID 47133290) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
PubChem CID47133290
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NC(C)C2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-3-18-13-8-6-12(7-9-13)16-14(17)15-10(2)11-4-5-11/h6-11H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyLGNLCFACQVNHNO-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
CID 63773425
1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
CID 47133172
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 944908
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
(2R)-4-amino-2-[(4-ethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825613
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea (CID 47133290) is 1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NC(C)C2CC2)cc1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is LGNLCFACQVNHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-13-8-6-12(7-9-13)16-14(17)15-10(2)11-4-5-11/h6-11H,3-5H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea?
1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 248.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 47133290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).