N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide

C15H16N2O3 — CID 78915168

IUPACN,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C15H16N2O3/c1-2-7-16-10-15(18)17(11-13-5-3-8-19-13)12-14-6-4-9-20-14/h1,3-6,8-9,16H,7,10-12H2
InChIKeyPNLYAZVRXJCYLP-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.62
Rot. Bonds7

About N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide

N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 78915168) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID78915168
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C15H16N2O3/c1-2-7-16-10-15(18)17(11-13-5-3-8-19-13)12-14-6-4-9-20-14/h1,3-6,8-9,16H,7,10-12H2
InChIKeyPNLYAZVRXJCYLP-UHFFFAOYSA-N
XLogP1.62
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(prop-2-ynylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 78915175
1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589494
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287585
tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
CID 10966474
1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589590
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide
CID 71846274
2-(butan-2-ylamino)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 60946987
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164

Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide (CID 78915168) is N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is PNLYAZVRXJCYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-7-16-10-15(18)17(11-13-5-3-8-19-13)12-14-6-4-9-20-14/h1,3-6,8-9,16H,7,10-12H2.
What are the key properties of N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide?
N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 272.30 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78915168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).