1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea

C15H30N2O3 — CID 111426754

IUPAC1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
SMILESCC(C)COCCNC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H30N2O3/c1-13(2)11-20-10-9-16-14(18)17-12-15(19)7-5-3-4-6-8-15/h13,19H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyLYNOTFINHOKLFK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.04
Rot. Bonds7

About 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea

1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea (PubChem CID 111426754) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
PubChem CID111426754
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
SMILESCC(C)COCCNC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H30N2O3/c1-13(2)11-20-10-9-16-14(18)17-12-15(19)7-5-3-4-6-8-15/h13,19H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyLYNOTFINHOKLFK-UHFFFAOYSA-N
XLogP2.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 110936450
1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111542851
1-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 104877300
1-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]cyclopentane-1-carboxamide
CID 104877293
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111104008
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104207
1-[(1-hydroxycyclohexyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439142
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535
4-[(1-hydroxycycloheptyl)methylcarbamoylamino]butanoic acid
CID 122023208
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methylsulfanylbutyl)urea
CID 111435245
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea?
The IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea (CID 111426754) is 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea.
What is the SMILES notation for 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea?
The canonical SMILES for 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea is CC(C)COCCNC(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea?
The InChIKey is LYNOTFINHOKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-13(2)11-20-10-9-16-14(18)17-12-15(19)7-5-3-4-6-8-15/h13,19H,3-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea?
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea has a molecular weight of 286.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea is sourced from PubChem (CID 111426754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).