1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea

C14H22N2O2 — CID 110774460

IUPAC1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-8-11(6-7-12(10)18-5)16-13(17)15-9-14(2,3)4/h6-8H,9H2,1-5H3,(H2,15,16,17)
InChIKeyDVDMBFSCHFCMDF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.17
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea

1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea (PubChem CID 110774460) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
PubChem CID110774460
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-8-11(6-7-12(10)18-5)16-13(17)15-9-14(2,3)4/h6-8H,9H2,1-5H3,(H2,15,16,17)
InChIKeyDVDMBFSCHFCMDF-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62669032
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid
CID 107839048
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120649
1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea
CID 60546005
tert-butyl 4-(4-methoxy-3-methylanilino)-4-oxobutanoate
CID 106707197
3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177412
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea (CID 110774460) is 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea is COc1ccc(NC(=O)NCC(C)(C)C)cc1C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea?
The InChIKey is DVDMBFSCHFCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-11(6-7-12(10)18-5)16-13(17)15-9-14(2,3)4/h6-8H,9H2,1-5H3,(H2,15,16,17).
What are the key properties of 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea?
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea has a molecular weight of 250.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea is sourced from PubChem (CID 110774460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).