cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide

C17H25NO3 — CID 91777791

IUPACcis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C17H25NO3/c1-18(17(20)14-7-5-8-15(19)13-14)11-6-12-21-16-9-3-2-4-10-16/h2-4,9-10,14-15,19H,5-8,11-13H2,1H3/t14-,15+/m0/s1
InChIKeyWNUNVZQNTQLRGY-LSDHHAIUSA-N
MW291.39 g/mol
LogP2.46
Rot. Bonds6

About cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide

cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide (PubChem CID 91777791) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
PubChem CID91777791
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namecis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C17H25NO3/c1-18(17(20)14-7-5-8-15(19)13-14)11-6-12-21-16-9-3-2-4-10-16/h2-4,9-10,14-15,19H,5-8,11-13H2,1H3/t14-,15+/m0/s1
InChIKeyWNUNVZQNTQLRGY-LSDHHAIUSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
2-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 64824766
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581
trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 133267652
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
CID 119820809
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119753738
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60501458

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide (CID 91777791) is cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide is CN(CCCOc1ccccc1)C(=O)[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide?
The InChIKey is WNUNVZQNTQLRGY-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18(17(20)14-7-5-8-15(19)13-14)11-6-12-21-16-9-3-2-4-10-16/h2-4,9-10,14-15,19H,5-8,11-13H2,1H3/t14-,15+/m0/s1.
What are the key properties of cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide?
cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91777791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).