N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide

C17H31NO3 — CID 163035682

IUPACN-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide
SMILESCO[C@@](C)(/C=C/[C@H](O)C(C)C)C1CCC(C)(NC=O)CC1
InChIInChI=1S/C17H31NO3/c1-13(2)15(20)8-11-17(4,21-5)14-6-9-16(3,10-7-14)18-12-19/h8,11-15,20H,6-7,9-10H2,1-5H3,(H,18,19)/b11-8+/t14?,15-,16?,17-/m0/s1
InChIKeyGWYOMVLIZRMWIS-CJWGFFDYSA-N
MW297.44 g/mol
LogP2.66
Rot. Bonds7

About N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide

N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide (PubChem CID 163035682) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide.

Molecular Properties

Compound NameN-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide
PubChem CID163035682
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC NameN-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide
SMILESCO[C@@](C)(/C=C/[C@H](O)C(C)C)C1CCC(C)(NC=O)CC1
InChIInChI=1S/C17H31NO3/c1-13(2)15(20)8-11-17(4,21-5)14-6-9-16(3,10-7-14)18-12-19/h8,11-15,20H,6-7,9-10H2,1-5H3,(H,18,19)/b11-8+/t14?,15-,16?,17-/m0/s1
InChIKeyGWYOMVLIZRMWIS-CJWGFFDYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 124706187
methyl 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetate
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2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide
CID 14435571
2,3,3-trimethyl-N-(1-methylcyclobutyl)butanamide
CID 146286414
2-cyclopropyl-3,4-dimethylpentan-2-ol
CID 130647257
N-[(1R)-1-cyclopentylethyl]-2-methoxy-2-methylpropanamide
CID 103029233
4-tert-butyl-1-(methoxymethyl)cyclohexane-1-carboxylic acid
CID 103975916
1-formamido-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756305
methyl 4-tert-butyl-1-(hydroxymethyl)cyclohexane-1-carboxylate
CID 118380454
methyl (E,2R,4R)-6-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoate
CID 162934694
methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate
CID 83198704
methyl 2-(1-methoxy-4,4-dimethylcyclohexanecarbonyl)-3-methylbutanoate
CID 116774987

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide?
The IUPAC name of N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide (CID 163035682) is N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide.
What is the SMILES notation for N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide?
The canonical SMILES for N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide is CO[C@@](C)(/C=C/[C@H](O)C(C)C)C1CCC(C)(NC=O)CC1.
What is the InChIKey of N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide?
The InChIKey is GWYOMVLIZRMWIS-CJWGFFDYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13(2)15(20)8-11-17(4,21-5)14-6-9-16(3,10-7-14)18-12-19/h8,11-15,20H,6-7,9-10H2,1-5H3,(H,18,19)/b11-8+/t14?,15-,16?,17-/m0/s1.
What are the key properties of N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide?
N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide has a molecular weight of 297.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E,2R,5R)-5-hydroxy-2-methoxy-6-methylhept-3-en-2-yl]-1-methylcyclohexyl]formamide is sourced from PubChem (CID 163035682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).