1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea

C19H30N2O2 — CID 111103405

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C19H30N2O2/c1-13(2)15-8-7-9-16(14(3)4)17(15)21-18(22)20-12-19(23)10-5-6-11-19/h7-9,13-14,23H,5-6,10-12H2,1-4H3,(H2,20,21,22)
InChIKeyCHNLXSNSQYRMKQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.36
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111103405) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111103405
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C19H30N2O2/c1-13(2)15-8-7-9-16(14(3)4)17(15)21-18(22)20-12-19(23)10-5-6-11-19/h7-9,13-14,23H,5-6,10-12H2,1-4H3,(H2,20,21,22)
InChIKeyCHNLXSNSQYRMKQ-UHFFFAOYSA-N
XLogP4.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432461
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[4-(hydroxymethyl)phenyl]cyclopentyl]methyl]urea
CID 10476581
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
CID 14977528
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
2-(1-hydroxycyclopentyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720133
2-(1-hydroxycyclohexyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720134
1-[2,6-di(propan-2-yl)phenyl]-3-[(2-phenyl-1,3-dithiolan-2-yl)methyl]urea
CID 19781976
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111724

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111103405) is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is CHNLXSNSQYRMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(2)15-8-7-9-16(14(3)4)17(15)21-18(22)20-12-19(23)10-5-6-11-19/h7-9,13-14,23H,5-6,10-12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 318.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111103405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).