1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea

C19H29FN2O2 — CID 111505638

IUPAC1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)NCC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H29FN2O2/c1-14(23)11-18(2,3)12-21-17(24)22-13-19(9-4-10-19)15-5-7-16(20)8-6-15/h5-8,14,23H,4,9-13H2,1-3H3,(H2,21,22,24)
InChIKeyNGSTVHNLTUQRDJ-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.34
Rot. Bonds7

About 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea

1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea (PubChem CID 111505638) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
PubChem CID111505638
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)NCC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H29FN2O2/c1-14(23)11-18(2,3)12-21-17(24)22-13-19(9-4-10-19)15-5-7-16(20)8-6-15/h5-8,14,23H,4,9-13H2,1-3H3,(H2,21,22,24)
InChIKeyNGSTVHNLTUQRDJ-UHFFFAOYSA-N
XLogP3.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504896
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111479610
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
CID 111337214
1-[(3,5-difluorophenyl)methyl]-3-[(4S)-4-hydroxy-2,2-dimethylpentyl]urea
CID 97218930
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110896199
N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide
CID 111520147
1-[2-(2,5-difluorophenyl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111603978
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea (CID 111505638) is 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea is CC(O)CC(C)(C)CNC(=O)NCC1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The InChIKey is NGSTVHNLTUQRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-14(23)11-18(2,3)12-21-17(24)22-13-19(9-4-10-19)15-5-7-16(20)8-6-15/h5-8,14,23H,4,9-13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea?
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea has a molecular weight of 336.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea is sourced from PubChem (CID 111505638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).