N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C16H19N3O2 — CID 77013330

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(C=CC(=O)N(C)Cc2ncc[nH]2)o1
InChIInChI=1S/C16H19N3O2/c1-11-9-13(11)14-5-3-12(21-14)4-6-16(20)19(2)10-15-17-7-8-18-15/h3-8,11,13H,9-10H2,1-2H3,(H,17,18)
InChIKeyQZBZLOPHTWZGHU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.80
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 77013330) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID77013330
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(C=CC(=O)N(C)Cc2ncc[nH]2)o1
InChIInChI=1S/C16H19N3O2/c1-11-9-13(11)14-5-3-12(21-14)4-6-16(20)19(2)10-15-17-7-8-18-15/h3-8,11,13H,9-10H2,1-2H3,(H,17,18)
InChIKeyQZBZLOPHTWZGHU-UHFFFAOYSA-N
XLogP2.80
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 76940023
(E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 115673344
(E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 47015563
(E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27006722
3-[ethyl-[(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]propanoic acid
CID 61008910
(E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 42921740
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 77013487
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one
CID 79410754
(E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 115772807
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 77013330) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC1CC1c1ccc(C=CC(=O)N(C)Cc2ncc[nH]2)o1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is QZBZLOPHTWZGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-9-13(11)14-5-3-12(21-14)4-6-16(20)19(2)10-15-17-7-8-18-15/h3-8,11,13H,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 285.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 77013330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).