N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide

C14H22N2O3 — CID 91794338

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC1(N(C)C)CCOCC1
InChIInChI=1S/C14H22N2O3/c1-11-12(4-7-19-11)13(17)15-10-14(16(2)3)5-8-18-9-6-14/h4,7H,5-6,8-10H2,1-3H3,(H,15,17)
InChIKeyNBDRTGNDEVAYRU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.43
Rot. Bonds4

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 91794338) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide
PubChem CID91794338
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC1(N(C)C)CCOCC1
InChIInChI=1S/C14H22N2O3/c1-11-12(4-7-19-11)13(17)15-10-14(16(2)3)5-8-18-9-6-14/h4,7H,5-6,8-10H2,1-3H3,(H,15,17)
InChIKeyNBDRTGNDEVAYRU-UHFFFAOYSA-N
XLogP1.43
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide (CID 91794338) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC1(N(C)C)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is NBDRTGNDEVAYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11-12(4-7-19-11)13(17)15-10-14(16(2)3)5-8-18-9-6-14/h4,7H,5-6,8-10H2,1-3H3,(H,15,17).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 91794338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).