cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide

C18H27NO4 — CID 100706928

IUPACcis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1
InChIInChI=1S/C18H27NO4/c1-14-5-4-10-18(13-14,22-3)17(20)19-15-6-8-16(9-7-15)23-12-11-21-2/h6-9,14H,4-5,10-13H2,1-3H3,(H,19,20)/t14-,18-/m0/s1
InChIKeyPIEJPPRDVWPXEM-KSSFIOAISA-N
MW321.42 g/mol
LogP3.25
Rot. Bonds7

About cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide

cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 100706928) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide
PubChem CID100706928
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Namecis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1
InChIInChI=1S/C18H27NO4/c1-14-5-4-10-18(13-14,22-3)17(20)19-15-6-8-16(9-7-15)23-12-11-21-2/h6-9,14H,4-5,10-13H2,1-3H3,(H,19,20)/t14-,18-/m0/s1
InChIKeyPIEJPPRDVWPXEM-KSSFIOAISA-N
XLogP3.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3S)-N-[4-(2-bromoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706082
trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706109
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 133246150
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100706271
cis-(1R,3R)-1-methoxy-3-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100706654
1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide
CID 100708275
cis-(1S,3S)-1-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 100775383
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060712
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
trans-(1R,3S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707699
cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100705713
cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100705982

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide (CID 100706928) is cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide is COCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1.
What is the InChIKey of cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is PIEJPPRDVWPXEM-KSSFIOAISA-N. The full InChI is InChI=1S/C18H27NO4/c1-14-5-4-10-18(13-14,22-3)17(20)19-15-6-8-16(9-7-15)23-12-11-21-2/h6-9,14H,4-5,10-13H2,1-3H3,(H,19,20)/t14-,18-/m0/s1.
What are the key properties of cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide?
cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100706928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).