N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide

C19H29NO5 — CID 21364619

IUPACN-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide
SMILESCOCOc1ccc(OC)cc1C1C(C(=O)N(C)OC)CCC1(C)C
InChIInChI=1S/C19H29NO5/c1-19(2)10-9-14(18(21)20(3)24-6)17(19)15-11-13(23-5)7-8-16(15)25-12-22-4/h7-8,11,14,17H,9-10,12H2,1-6H3
InChIKeyDTRCRVIRBREZJE-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.22
Rot. Bonds7

About N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide

N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide (PubChem CID 21364619) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide
PubChem CID21364619
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC NameN-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide
SMILESCOCOc1ccc(OC)cc1C1C(C(=O)N(C)OC)CCC1(C)C
InChIInChI=1S/C19H29NO5/c1-19(2)10-9-14(18(21)20(3)24-6)17(19)15-11-13(23-5)7-8-16(15)25-12-22-4/h7-8,11,14,17H,9-10,12H2,1-6H3
InChIKeyDTRCRVIRBREZJE-UHFFFAOYSA-N
XLogP3.22
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide?
The IUPAC name of N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide (CID 21364619) is N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide is COCOc1ccc(OC)cc1C1C(C(=O)N(C)OC)CCC1(C)C.
What is the InChIKey of N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide?
The InChIKey is DTRCRVIRBREZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-19(2)10-9-14(18(21)20(3)24-6)17(19)15-11-13(23-5)7-8-16(15)25-12-22-4/h7-8,11,14,17H,9-10,12H2,1-6H3.
What are the key properties of N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide?
N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 21364619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).