(1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid

C16H23NO4 — CID 174462684

IUPAC(1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid
SMILESCOC1CC(OC)CC(Cc2ccccc2)(NC(=O)O)C1
InChIInChI=1S/C16H23NO4/c1-20-13-8-14(21-2)11-16(10-13,17-15(18)19)9-12-6-4-3-5-7-12/h3-7,13-14,17H,8-11H2,1-2H3,(H,18,19)
InChIKeyYGJAITIEIYPZAQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.45
Rot. Bonds5

About (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid

(1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid (PubChem CID 174462684) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid.

Molecular Properties

Compound Name(1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid
PubChem CID174462684
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid
SMILESCOC1CC(OC)CC(Cc2ccccc2)(NC(=O)O)C1
InChIInChI=1S/C16H23NO4/c1-20-13-8-14(21-2)11-16(10-13,17-15(18)19)9-12-6-4-3-5-7-12/h3-7,13-14,17H,8-11H2,1-2H3,(H,18,19)
InChIKeyYGJAITIEIYPZAQ-UHFFFAOYSA-N
XLogP2.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134986288
(1-benzylcyclopentyl)urea
CID 86790395
methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate
CID 15541932
methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
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N-(1-benzylcyclopropyl)prop-2-enamide
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N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
(4R,6R)-2,6-dibenzyl-4-methoxyoxane-2-carbonitrile
CID 101457570
trans-(1S,2R)-1-benzyl-2-(4-methoxycarbonylphenyl)cyclopropane-1-carboxylic acid
CID 146201513
(2S,4R)-2-benzyl-4-hydroxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 67034148
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
CID 142327017

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid?
The IUPAC name of (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid (CID 174462684) is (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid.
What is the SMILES notation for (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid?
The canonical SMILES for (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid is COC1CC(OC)CC(Cc2ccccc2)(NC(=O)O)C1.
What is the InChIKey of (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid?
The InChIKey is YGJAITIEIYPZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-13-8-14(21-2)11-16(10-13,17-15(18)19)9-12-6-4-3-5-7-12/h3-7,13-14,17H,8-11H2,1-2H3,(H,18,19).
What are the key properties of (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid?
(1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid has a molecular weight of 293.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid is sourced from PubChem (CID 174462684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).