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

C18H32N2O2 — CID 4972250

IUPACN-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide
SMILESCCCCCCC(CC(=O)NCCCN(C)C)c1ccco1
InChIInChI=1S/C18H32N2O2/c1-4-5-6-7-10-16(17-11-8-14-22-17)15-18(21)19-12-9-13-20(2)3/h8,11,14,16H,4-7,9-10,12-13,15H2,1-3H3,(H,19,21)
InChIKeyGWSUOLBPMUEULM-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.79
Rot. Bonds12

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

N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide (PubChem CID 4972250) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide
PubChem CID4972250
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide
SMILESCCCCCCC(CC(=O)NCCCN(C)C)c1ccco1
InChIInChI=1S/C18H32N2O2/c1-4-5-6-7-10-16(17-11-8-14-22-17)15-18(21)19-12-9-13-20(2)3/h8,11,14,16H,4-7,9-10,12-13,15H2,1-3H3,(H,19,21)
InChIKeyGWSUOLBPMUEULM-UHFFFAOYSA-N
XLogP3.79
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide;oxalic acid
CID 52995253
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
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide
CID 53427633

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide (CID 4972250) is N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide is CCCCCCC(CC(=O)NCCCN(C)C)c1ccco1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide?
The InChIKey is GWSUOLBPMUEULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-5-6-7-10-16(17-11-8-14-22-17)15-18(21)19-12-9-13-20(2)3/h8,11,14,16H,4-7,9-10,12-13,15H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide?
N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide has a molecular weight of 308.47 g/mol, XLogP of 3.79, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide is sourced from PubChem (CID 4972250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).