1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea

C11H22N2O2 — CID 95628739

IUPAC1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea
SMILESCONC(=O)NCC[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-9-4-3-5-10(8-9)6-7-12-11(14)13-15-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)/t9-,10+/m0/s1
InChIKeyYJJKEYWOCMMEGS-VHSXEESVSA-N
MW214.31 g/mol
LogP2.06
Rot. Bonds4

About 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea

1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea (PubChem CID 95628739) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea.

Molecular Properties

Compound Name1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea
PubChem CID95628739
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea
SMILESCONC(=O)NCC[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-9-4-3-5-10(8-9)6-7-12-11(14)13-15-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)/t9-,10+/m0/s1
InChIKeyYJJKEYWOCMMEGS-VHSXEESVSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclopropylethyl)-3-methoxyurea
CID 131224486
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
2-hydroxy-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 103430075
(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119323315
2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide;hydrochloride
CID 119783122
(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 78965782
1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea
CID 111455561
3-bromo-N-[2-(3-methylcyclohexyl)ethyl]prop-2-ynamide
CID 130918142
2-(tert-butylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide
CID 78966290
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-carboxamide
CID 115629689
(2S)-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]hexanoic acid
CID 107146159
1-(1-methoxypropan-2-yl)-3-[2-(3-methylcyclohexyl)ethyl]thiourea
CID 115629430

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea?
The IUPAC name of 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea (CID 95628739) is 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea.
What is the SMILES notation for 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea?
The canonical SMILES for 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea is CONC(=O)NCC[C@H]1CCC[C@H](C)C1.
What is the InChIKey of 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea?
The InChIKey is YJJKEYWOCMMEGS-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9-4-3-5-10(8-9)6-7-12-11(14)13-15-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)/t9-,10+/m0/s1.
What are the key properties of 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea?
1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea has a molecular weight of 214.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea is sourced from PubChem (CID 95628739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).