N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide

C19H27NO5 — CID 113095939

IUPACN-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide
SMILESCOc1cc(CN(C(=O)C2CCOCC2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C19H27NO5/c1-22-16-10-13(11-17(23-2)18(16)24-3)12-20(15-4-5-15)19(21)14-6-8-25-9-7-14/h10-11,14-15H,4-9,12H2,1-3H3
InChIKeyIFQBFYUGXGPIOF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.63
Rot. Bonds7

About N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide

N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide (PubChem CID 113095939) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide
PubChem CID113095939
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC NameN-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide
SMILESCOc1cc(CN(C(=O)C2CCOCC2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C19H27NO5/c1-22-16-10-13(11-17(23-2)18(16)24-3)12-20(15-4-5-15)19(21)14-6-8-25-9-7-14/h10-11,14-15H,4-9,12H2,1-3H3
InChIKeyIFQBFYUGXGPIOF-UHFFFAOYSA-N
XLogP2.63
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide
CID 113095892
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide
CID 121131308
N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 113095965
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095862
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 40643700
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27315980
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide (CID 113095939) is N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide is COc1cc(CN(C(=O)C2CCOCC2)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide?
The InChIKey is IFQBFYUGXGPIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-22-16-10-13(11-17(23-2)18(16)24-3)12-20(15-4-5-15)19(21)14-6-8-25-9-7-14/h10-11,14-15H,4-9,12H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide?
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 113095939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).