1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea

C17H24N2O2 — CID 108913071

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC=C1CCOCC1
InChIInChI=1S/C17H24N2O2/c1-12(2)15-6-4-5-13(3)16(15)19-17(20)18-11-14-7-9-21-10-8-14/h4-6,11-12H,7-10H2,1-3H3,(H2,18,19,20)
InChIKeyYWVQPJQNCSCCES-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.93
Rot. Bonds3

About 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea

1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913071) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913071
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC=C1CCOCC1
InChIInChI=1S/C17H24N2O2/c1-12(2)15-6-4-5-13(3)16(15)19-17(20)18-11-14-7-9-21-10-8-14/h4-6,11-12H,7-10H2,1-3H3,(H2,18,19,20)
InChIKeyYWVQPJQNCSCCES-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071
1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea
CID 108912386
1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 111754312
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 5008117
1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215098

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913071) is 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea is Cc1cccc(C(C)C)c1NC(=O)NC=C1CCOCC1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is YWVQPJQNCSCCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)15-6-4-5-13(3)16(15)19-17(20)18-11-14-7-9-21-10-8-14/h4-6,11-12H,7-10H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea?
1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 288.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).