N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide

C13H21N3O3 — CID 43401459

IUPACN-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
SMILESCCCNC(=O)CNC(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H21N3O3/c1-3-6-14-12(17)9-15-10(2)13(18)16-8-11-5-4-7-19-11/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyJQNCBZFUWVBFHP-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.40
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide

N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide (PubChem CID 43401459) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
PubChem CID43401459
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
SMILESCCCNC(=O)CNC(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H21N3O3/c1-3-6-14-12(17)9-15-10(2)13(18)16-8-11-5-4-7-19-11/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyJQNCBZFUWVBFHP-UHFFFAOYSA-N
XLogP0.40
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-(furan-2-ylmethyl)-2-(3-propoxypropylamino)propanamide
CID 82943073
2-[2-[ethyl(methyl)amino]ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 62641023
N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide
CID 60677219
(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364
N-(furan-2-ylmethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62639953
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
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-[[2-oxo-2-(propylamino)ethyl]amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide (CID 43401459) is N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide is CCCNC(=O)CNC(C)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide?
The InChIKey is JQNCBZFUWVBFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-6-14-12(17)9-15-10(2)13(18)16-8-11-5-4-7-19-11/h4-5,7,10,15H,3,6,8-9H2,1-2H3,(H,14,17)(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide?
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide has a molecular weight of 267.33 g/mol, XLogP of 0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide is sourced from PubChem (CID 43401459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).