N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide

C15H20N2O3 — CID 98645041

IUPACN-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
SMILESCNC(=O)CCNC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1
InChIInChI=1S/C15H20N2O3/c1-10-9-12(10)13-5-3-11(20-13)4-6-15(19)17-8-7-14(18)16-2/h3-6,10,12H,7-9H2,1-2H3,(H,16,18)(H,17,19)/b6-4-/t10-,12+/m0/s1
InChIKeyJGOLBQJUKGKUKL-PLLCSPFLSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds6

About N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide

N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide (PubChem CID 98645041) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
PubChem CID98645041
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
SMILESCNC(=O)CCNC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1
InChIInChI=1S/C15H20N2O3/c1-10-9-12(10)13-5-3-11(20-13)4-6-15(19)17-8-7-14(18)16-2/h3-6,10,12H,7-9H2,1-2H3,(H,16,18)(H,17,19)/b6-4-/t10-,12+/m0/s1
InChIKeyJGOLBQJUKGKUKL-PLLCSPFLSA-N
XLogP1.67
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 103862368
(E)-N-(3-hydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 65037410
(E)-N-[(4-fluorophenyl)methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43034838
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 42921726
tert-butyl 4-[3-[[(E)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propyl]piperazine-1-carboxylate
CID 51952124
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974
N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 61245613
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide
CID 51938691
(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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide?
The IUPAC name of N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide (CID 98645041) is N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide?
The canonical SMILES for N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide is CNC(=O)CCNC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1.
What is the InChIKey of N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide?
The InChIKey is JGOLBQJUKGKUKL-PLLCSPFLSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-9-12(10)13-5-3-11(20-13)4-6-15(19)17-8-7-14(18)16-2/h3-6,10,12H,7-9H2,1-2H3,(H,16,18)(H,17,19)/b6-4-/t10-,12+/m0/s1.
What are the key properties of N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide?
N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 98645041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).