N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid

C20H34N2O6 — CID 52995253

IUPACN-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid
SMILESCCCCCCC(CC(=O)NCCCN(C)C)c1ccco1.O=C(O)C(=O)O
InChIInChI=1S/C18H32N2O2.C2H2O4/c1-4-5-6-7-10-16(17-11-8-14-22-17)15-18(21)19-12-9-13-20(2)3;3-1(4)2(5)6/h8,11,14,16H,4-7,9-10,12-13,15H2,1-3H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyMSHVTJODDWJEII-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.95
Rot. Bonds12

About N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid

N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid (PubChem CID 52995253) has the molecular formula C20H34N2O6 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid
PubChem CID52995253
Molecular FormulaC20H34N2O6
Molecular Weight398.50 g/mol
Exact Mass398.24
IUPAC NameN-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid
SMILESCCCCCCC(CC(=O)NCCCN(C)C)c1ccco1.O=C(O)C(=O)O
InChIInChI=1S/C18H32N2O2.C2H2O4/c1-4-5-6-7-10-16(17-11-8-14-22-17)15-18(21)19-12-9-13-20(2)3;3-1(4)2(5)6/h8,11,14,16H,4-7,9-10,12-13,15H2,1-3H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyMSHVTJODDWJEII-UHFFFAOYSA-N
XLogP2.95
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide
CID 4972250
N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide
CID 54060083
3-butyl-N-[2-(dimethylamino)ethyl]octanamide
CID 88999210
(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98230566
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide
CID 4146613
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
1-(furan-2-yl)decan-1-ol
CID 11085452
2-nonan-2-ylfuran
CID 160791396
2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan
CID 122375580
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81400011

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid (CID 52995253) is N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid is CCCCCCC(CC(=O)NCCCN(C)C)c1ccco1.O=C(O)C(=O)O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid?
The InChIKey is MSHVTJODDWJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.C2H2O4/c1-4-5-6-7-10-16(17-11-8-14-22-17)15-18(21)19-12-9-13-20(2)3;3-1(4)2(5)6/h8,11,14,16H,4-7,9-10,12-13,15H2,1-3H3,(H,19,21);(H,3,4)(H,5,6).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid?
N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid has a molecular weight of 398.50 g/mol, XLogP of 2.95, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid is sourced from PubChem (CID 52995253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).