1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea

C15H28N2O3 — CID 111722411

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
SMILESCC1(CNC(=O)NCCOCC2CC2)CCCCC1O
InChIInChI=1S/C15H28N2O3/c1-15(7-3-2-4-13(15)18)11-17-14(19)16-8-9-20-10-12-5-6-12/h12-13,18H,2-11H2,1H3,(H2,16,17,19)
InChIKeyJMQLBYDEWCOIRH-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.65
Rot. Bonds7

About 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea

1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea (PubChem CID 111722411) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
PubChem CID111722411
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
SMILESCC1(CNC(=O)NCCOCC2CC2)CCCCC1O
InChIInChI=1S/C15H28N2O3/c1-15(7-3-2-4-13(15)18)11-17-14(19)16-8-9-20-10-12-5-6-12/h12-13,18H,2-11H2,1H3,(H2,16,17,19)
InChIKeyJMQLBYDEWCOIRH-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.65
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-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722478
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119801909
1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755575
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111722412
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338531
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
CID 119801889
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111722272
N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide
CID 96526783
2-(1-aminocyclobutyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide
CID 103809951
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119801888

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea (CID 111722411) is 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea is CC1(CNC(=O)NCCOCC2CC2)CCCCC1O.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
The InChIKey is JMQLBYDEWCOIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(7-3-2-4-13(15)18)11-17-14(19)16-8-9-20-10-12-5-6-12/h12-13,18H,2-11H2,1H3,(H2,16,17,19).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea has a molecular weight of 284.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea is sourced from PubChem (CID 111722411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).