N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C17H25NO3 — CID 61245613

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC(C)CC(CO)NC(=O)C=Cc1ccc(C2CC2C)o1
InChIInChI=1S/C17H25NO3/c1-11(2)8-13(10-19)18-17(20)7-5-14-4-6-16(21-14)15-9-12(15)3/h4-7,11-13,15,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyQWZJZVJLFIEYAH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.94
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 61245613) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID61245613
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC(C)CC(CO)NC(=O)C=Cc1ccc(C2CC2C)o1
InChIInChI=1S/C17H25NO3/c1-11(2)8-13(10-19)18-17(20)7-5-14-4-6-16(21-14)15-9-12(15)3/h4-7,11-13,15,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyQWZJZVJLFIEYAH-UHFFFAOYSA-N
XLogP2.94
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.94
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-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(E)-N-(3-hydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 65037410
(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 103862368
(2S)-N-tert-butyl-2-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98727390
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide
CID 39435422
N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98645041
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
3-(5-methylfuran-2-yl)-N-[4-methyl-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pentyl]prop-2-enamide
CID 72690283
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974
(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-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 61246484

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 61245613) is N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC(C)CC(CO)NC(=O)C=Cc1ccc(C2CC2C)o1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is QWZJZVJLFIEYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)8-13(10-19)18-17(20)7-5-14-4-6-16(21-14)15-9-12(15)3/h4-7,11-13,15,19H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 61245613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).