N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide

C17H25NO5 — CID 21364620

IUPACN-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide
SMILESCOCOc1ccc(OC)cc1C1CCCC1C(=O)N(C)OC
InChIInChI=1S/C17H25NO5/c1-18(22-4)17(19)14-7-5-6-13(14)15-10-12(21-3)8-9-16(15)23-11-20-2/h8-10,13-14H,5-7,11H2,1-4H3
InChIKeyJGEPVWFPVDMZIT-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.58
Rot. Bonds7

About N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide

N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 21364620) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide
PubChem CID21364620
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC NameN-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide
SMILESCOCOc1ccc(OC)cc1C1CCCC1C(=O)N(C)OC
InChIInChI=1S/C17H25NO5/c1-18(22-4)17(19)14-7-5-6-13(14)15-10-12(21-3)8-9-16(15)23-11-20-2/h8-10,13-14H,5-7,11H2,1-4H3
InChIKeyJGEPVWFPVDMZIT-UHFFFAOYSA-N
XLogP2.58
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.58
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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Related Compounds

cis-(1R,2S)-N-methoxy-2-[3-methoxy-2,5-bis(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide
CID 59100290
N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N,3,3-trimethylcyclopentane-1-carboxamide
CID 21364619
[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cycloheptyl]-[4-(methoxymethoxy)phenyl]methanone
CID 58862280
cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate
CID 58862290
[3-cycloheptyl-4-(methoxymethoxy)phenyl] acetate;N-methoxy-N-methylacetamide
CID 142244910
2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid
CID 66652406
1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol
CID 58862320
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
4-(2,5-dimethoxyphenyl)-N-ethyl-1-(4-methoxybenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 42681611
methyl 2-[2,5-bis(methoxymethoxy)phenyl]-3,3-dimethylcyclopentane-1-carboxylate
CID 21364605
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide (CID 21364620) is N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide is COCOc1ccc(OC)cc1C1CCCC1C(=O)N(C)OC.
What is the InChIKey of N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is JGEPVWFPVDMZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-18(22-4)17(19)14-7-5-6-13(14)15-10-12(21-3)8-9-16(15)23-11-20-2/h8-10,13-14H,5-7,11H2,1-4H3.
What are the key properties of N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide?
N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.58, 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-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 21364620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).