N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide

C15H22N2O4 — CID 126431945

IUPACN,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)C[C@@H]2CCCOC2)o1
InChIInChI=1S/C15H22N2O4/c1-17(2)15(19)13-6-5-12(21-13)9-16-14(18)8-11-4-3-7-20-10-11/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyOVWSNZLBJWRYEG-NSHDSACASA-N
MW294.35 g/mol
LogP1.41
Rot. Bonds5

About N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide

N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide (PubChem CID 126431945) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
PubChem CID126431945
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)C[C@@H]2CCCOC2)o1
InChIInChI=1S/C15H22N2O4/c1-17(2)15(19)13-6-5-12(21-13)9-16-14(18)8-11-4-3-7-20-10-11/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyOVWSNZLBJWRYEG-NSHDSACASA-N
XLogP1.41
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide (CID 126431945) is N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)C[C@@H]2CCCOC2)o1.
What is the InChIKey of N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide?
The InChIKey is OVWSNZLBJWRYEG-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(2)15(19)13-6-5-12(21-13)9-16-14(18)8-11-4-3-7-20-10-11/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide?
N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 126431945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).