cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide

C19H29NO7 — CID 59100290

IUPACcis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide
SMILESCOCOc1cc(OC)c(OCOC)c([C@H]2CCC[C@H]2C(=O)N(C)OC)c1
InChIInChI=1S/C19H29NO7/c1-20(25-5)19(21)15-8-6-7-14(15)16-9-13(26-11-22-2)10-17(24-4)18(16)27-12-23-3/h9-10,14-15H,6-8,11-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyJUSKKPALVKQPHF-LSDHHAIUSA-N
MW383.44 g/mol
LogP2.56
Rot. Bonds10

About cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide

cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 59100290) has the molecular formula C19H29NO7 and a molecular weight of 383.44 g/mol. Its IUPAC name is cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide
PubChem CID59100290
Molecular FormulaC19H29NO7
Molecular Weight383.44 g/mol
Exact Mass383.19
IUPAC Namecis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide
SMILESCOCOc1cc(OC)c(OCOC)c([C@H]2CCC[C@H]2C(=O)N(C)OC)c1
InChIInChI=1S/C19H29NO7/c1-20(25-5)19(21)15-8-6-7-14(15)16-9-13(26-11-22-2)10-17(24-4)18(16)27-12-23-3/h9-10,14-15H,6-8,11-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyJUSKKPALVKQPHF-LSDHHAIUSA-N
XLogP2.56
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide (CID 59100290) is cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide is COCOc1cc(OC)c(OCOC)c([C@H]2CCC[C@H]2C(=O)N(C)OC)c1.
What is the InChIKey of cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is JUSKKPALVKQPHF-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H29NO7/c1-20(25-5)19(21)15-8-6-7-14(15)16-9-13(26-11-22-2)10-17(24-4)18(16)27-12-23-3/h9-10,14-15H,6-8,11-12H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide?
cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 2.56, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 59100290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).