1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea

C12H18N2O2 — CID 71878380

IUPAC1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
SMILESCOCC(C)(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-12(2,9-16-3)14-11(15)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14,15)
InChIKeyMLHNYGWCDXFWKK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.23
Rot. Bonds4

About 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea

1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea (PubChem CID 71878380) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
PubChem CID71878380
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
SMILESCOCC(C)(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-12(2,9-16-3)14-11(15)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14,15)
InChIKeyMLHNYGWCDXFWKK-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-2-phenylacetic acid
CID 104899136
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
CID 110410273
(2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid
CID 100730155
1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 122565965
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
1-[1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-2-methylpropan-2-yl]-3-phenylurea
CID 102273550
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
1-(2-methylbut-3-en-2-yl)-3-phenylurea
CID 14940484
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea?
The IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea (CID 71878380) is 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea?
The canonical SMILES for 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea is COCC(C)(C)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea?
The InChIKey is MLHNYGWCDXFWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,9-16-3)14-11(15)13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea?
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea has a molecular weight of 222.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea is sourced from PubChem (CID 71878380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).