1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea

C15H24N2O3 — CID 111431598

IUPAC1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24N2O3/c1-10-8-11(20-5)6-7-12(10)17-14(19)16-9-13(18)15(2,3)4/h6-8,13,18H,9H2,1-5H3,(H2,16,17,19)
InChIKeyKNDIOPFUZWAFSB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.53
Rot. Bonds4

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

1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 111431598) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
PubChem CID111431598
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24N2O3/c1-10-8-11(20-5)6-7-12(10)17-14(19)16-9-13(18)15(2,3)4/h6-8,13,18H,9H2,1-5H3,(H2,16,17,19)
InChIKeyKNDIOPFUZWAFSB-UHFFFAOYSA-N
XLogP2.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
CID 110924216
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
CID 111430906
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 62871905
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
CID 107028771
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide
CID 96530978
4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide
CID 55740597
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea (CID 111431598) is 1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)NCC(O)C(C)(C)C)c(C)c1.
What is the InChIKey of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is KNDIOPFUZWAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-8-11(20-5)6-7-12(10)17-14(19)16-9-13(18)15(2,3)4/h6-8,13,18H,9H2,1-5H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea?
1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 111431598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).