N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

C21H30N2O3 — CID 91957431

IUPACN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCC3(CN(C)C)CCOCC3)c(C)c2cc1C
InChIInChI=1S/C21H30N2O3/c1-14-10-17-16(3)19(26-18(17)11-15(14)2)20(24)22-12-21(13-23(4)5)6-8-25-9-7-21/h10-11H,6-9,12-13H2,1-5H3,(H,22,24)
InChIKeyOMERCFHYBTUTOG-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.45
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 91957431) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
PubChem CID91957431
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCC3(CN(C)C)CCOCC3)c(C)c2cc1C
InChIInChI=1S/C21H30N2O3/c1-14-10-17-16(3)19(26-18(17)11-15(14)2)20(24)22-12-21(13-23(4)5)6-8-25-9-7-21/h10-11H,6-9,12-13H2,1-5H3,(H,22,24)
InChIKeyOMERCFHYBTUTOG-UHFFFAOYSA-N
XLogP3.45
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 91954352
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,2,3-trimethylindole-5-carboxamide
CID 91957402
3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 91957980
3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35573034
6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 52984463
5-chloro-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35576709
5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 91957127
2-[4-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215542
N-(1,1-dioxothiolan-3-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 2947909
N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162
5-bromo-3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 3950385
4-[[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542813

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide (CID 91957431) is N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)NCC3(CN(C)C)CCOCC3)c(C)c2cc1C.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is OMERCFHYBTUTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14-10-17-16(3)19(26-18(17)11-15(14)2)20(24)22-12-21(13-23(4)5)6-8-25-9-7-21/h10-11H,6-9,12-13H2,1-5H3,(H,22,24).
What are the key properties of N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91957431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).