N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide

C14H24N2O3 — CID 82943073

IUPACN-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide
SMILESCCCOCCCNC(C)C(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-3-8-18-9-5-7-15-12(2)14(17)16-11-13-6-4-10-19-13/h4,6,10,12,15H,3,5,7-9,11H2,1-2H3,(H,16,17)
InChIKeyJKVNGCFWTIHYEV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.69
Rot. Bonds10

About N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide

N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide (PubChem CID 82943073) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide
PubChem CID82943073
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide
SMILESCCCOCCCNC(C)C(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-3-8-18-9-5-7-15-12(2)14(17)16-11-13-6-4-10-19-13/h4,6,10,12,15H,3,5,7-9,11H2,1-2H3,(H,16,17)
InChIKeyJKVNGCFWTIHYEV-UHFFFAOYSA-N
XLogP1.69
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-(furan-2-ylmethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62639953
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
2-[2-[ethyl(methyl)amino]ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 62641023
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide
CID 60677219
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide (CID 82943073) is N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide is CCCOCCCNC(C)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide?
The InChIKey is JKVNGCFWTIHYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-8-18-9-5-7-15-12(2)14(17)16-11-13-6-4-10-19-13/h4,6,10,12,15H,3,5,7-9,11H2,1-2H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide?
N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide has a molecular weight of 268.36 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide is sourced from PubChem (CID 82943073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).