1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea

C16H30N2O3 — CID 111428425

IUPAC1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NCCOC1CCCCCC1)NC1CCCCC1O
InChIInChI=1S/C16H30N2O3/c19-15-10-6-5-9-14(15)18-16(20)17-11-12-21-13-7-3-1-2-4-8-13/h13-15,19H,1-12H2,(H2,17,18,20)
InChIKeyMXNSNKRZWNQMJI-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.33
Rot. Bonds5

About 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea

1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 111428425) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
PubChem CID111428425
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NCCOC1CCCCCC1)NC1CCCCC1O
InChIInChI=1S/C16H30N2O3/c19-15-10-6-5-9-14(15)18-16(20)17-11-12-21-13-7-3-1-2-4-8-13/h13-15,19H,1-12H2,(H2,17,18,20)
InChIKeyMXNSNKRZWNQMJI-UHFFFAOYSA-N
XLogP2.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.33
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-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
trans-(1R,2R)-2-(2-cyclopentyloxyethylamino)cyclopentan-1-ol
CID 102733484
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111428431
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506485
2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 63832822
1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110933278
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea
CID 48915772
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea (CID 111428425) is 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea is O=C(NCCOC1CCCCCC1)NC1CCCCC1O.
What is the InChIKey of 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is MXNSNKRZWNQMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c19-15-10-6-5-9-14(15)18-16(20)17-11-12-21-13-7-3-1-2-4-8-13/h13-15,19H,1-12H2,(H2,17,18,20).
What are the key properties of 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea?
1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 298.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 111428425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).