1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea

C15H22N2O — CID 47133190

IUPAC1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
SMILESCC(C)c1cccc(NC(=O)NC(C)C2CC2)c1
InChIInChI=1S/C15H22N2O/c1-10(2)13-5-4-6-14(9-13)17-15(18)16-11(3)12-7-8-12/h4-6,9-12H,7-8H2,1-3H3,(H2,16,17,18)
InChIKeyRMZBYVCZMMCMII-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.73
Rot. Bonds4

About 1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea

1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea (PubChem CID 47133190) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
PubChem CID47133190
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
SMILESCC(C)c1cccc(NC(=O)NC(C)C2CC2)c1
InChIInChI=1S/C15H22N2O/c1-10(2)13-5-4-6-14(9-13)17-15(18)16-11(3)12-7-8-12/h4-6,9-12H,7-8H2,1-3H3,(H2,16,17,18)
InChIKeyRMZBYVCZMMCMII-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea
CID 55069368
3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
1-[3-[[(R)-tert-butylsulfinyl]methyl]phenyl]-3-[(1R)-1-cyclopropylethyl]urea
CID 95629055
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 61194996
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 166240274
1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
CID 47133172

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea (CID 47133190) is 1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea is CC(C)c1cccc(NC(=O)NC(C)C2CC2)c1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea?
The InChIKey is RMZBYVCZMMCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)13-5-4-6-14(9-13)17-15(18)16-11(3)12-7-8-12/h4-6,9-12H,7-8H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea?
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.73, 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-(3-propan-2-ylphenyl)urea is sourced from PubChem (CID 47133190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).