N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide

C12H16N2O2 — CID 79287515

IUPACN-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C12H16N2O2/c1-4-6-13-8-12(15)14(3)9-11-5-7-16-10(11)2/h1,5,7,13H,6,8-9H2,2-3H3
InChIKeyWVYXZNYNFRSLIR-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.77
Rot. Bonds5

About N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide

N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79287515) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79287515
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C12H16N2O2/c1-4-6-13-8-12(15)14(3)9-11-5-7-16-10(11)2/h1,5,7,13H,6,8-9H2,2-3H3
InChIKeyWVYXZNYNFRSLIR-UHFFFAOYSA-N
XLogP0.77
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915074
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164
N-methyl-4-(methylamino)-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426651
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915097
2-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-oxoethoxy]acetic acid
CID 61426198
ethyl 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]acetate
CID 47377436
(E)-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 82238971
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
CID 61426506
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 78915168
2-bromo-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426211
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide (CID 79287515) is N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)Cc1ccoc1C.
What is the InChIKey of N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is WVYXZNYNFRSLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-6-13-8-12(15)14(3)9-11-5-7-16-10(11)2/h1,5,7,13H,6,8-9H2,2-3H3.
What are the key properties of N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide?
N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 220.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).