N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide

C15H26N2O2 — CID 60677219

IUPACN-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide
SMILESCCCCCC(C)NC(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H26N2O2/c1-4-5-6-8-12(2)17-13(3)15(18)16-11-14-9-7-10-19-14/h7,9-10,12-13,17H,4-6,8,11H2,1-3H3,(H,16,18)
InChIKeyWIOAFJQUNXEDKS-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.84
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide

N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide (PubChem CID 60677219) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide
PubChem CID60677219
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide
SMILESCCCCCC(C)NC(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H26N2O2/c1-4-5-6-8-12(2)17-13(3)15(18)16-11-14-9-7-10-19-14/h7,9-10,12-13,17H,4-6,8,11H2,1-3H3,(H,16,18)
InChIKeyWIOAFJQUNXEDKS-UHFFFAOYSA-N
XLogP2.84
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(hexan-3-ylamino)propanamide
CID 62119494
2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
CID 82938141
N-(furan-2-ylmethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 61462816
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
1-(furan-2-ylmethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212393
N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
CID 111195464
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 113494652
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide (CID 60677219) is N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide is CCCCCC(C)NC(C)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide?
The InChIKey is WIOAFJQUNXEDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-5-6-8-12(2)17-13(3)15(18)16-11-14-9-7-10-19-14/h7,9-10,12-13,17H,4-6,8,11H2,1-3H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide?
N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide has a molecular weight of 266.38 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide is sourced from PubChem (CID 60677219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).