1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea

C16H24F2N2O3 — CID 109388786

IUPAC1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
SMILESCC(C)C(O)C(C)(C)CNC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O3/c1-10(2)13(21)16(3,4)9-19-15(22)20-11-5-7-12(8-6-11)23-14(17)18/h5-8,10,13-14,21H,9H2,1-4H3,(H2,19,20,22)
InChIKeyPOFHMQNTCHMSLN-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.45
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea

1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea (PubChem CID 109388786) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
PubChem CID109388786
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
SMILESCC(C)C(O)C(C)(C)CNC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O3/c1-10(2)13(21)16(3,4)9-19-15(22)20-11-5-7-12(8-6-11)23-14(17)18/h5-8,10,13-14,21H,9H2,1-4H3,(H2,19,20,22)
InChIKeyPOFHMQNTCHMSLN-UHFFFAOYSA-N
XLogP3.45
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide
CID 95298417
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077710
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697
2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328949
1-[4-(difluoromethoxy)phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452793
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea (CID 109388786) is 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea is CC(C)C(O)C(C)(C)CNC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The InChIKey is POFHMQNTCHMSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-10(2)13(21)16(3,4)9-19-15(22)20-11-5-7-12(8-6-11)23-14(17)18/h5-8,10,13-14,21H,9H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea has a molecular weight of 330.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea is sourced from PubChem (CID 109388786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).