1-cyclopropyl-3-(1-phenylethyl)urea

C12H16N2O — CID 42924486

IUPAC1-cyclopropyl-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)13-12(15)14-11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14,15)
InChIKeyDVVBIUIDGYUPGM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.21
Rot. Bonds3

About 1-cyclopropyl-3-(1-phenylethyl)urea

1-cyclopropyl-3-(1-phenylethyl)urea (PubChem CID 42924486) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-phenylethyl)urea
PubChem CID42924486
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-cyclopropyl-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)13-12(15)14-11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14,15)
InChIKeyDVVBIUIDGYUPGM-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
CID 154483881

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-phenylethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(1-phenylethyl)urea (CID 42924486) is 1-cyclopropyl-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(1-phenylethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(1-phenylethyl)urea is CC(NC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-3-(1-phenylethyl)urea?
The InChIKey is DVVBIUIDGYUPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)13-12(15)14-11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-3-(1-phenylethyl)urea?
1-cyclopropyl-3-(1-phenylethyl)urea has a molecular weight of 204.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-phenylethyl)urea is sourced from PubChem (CID 42924486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).