N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C15H21NO3 — CID 76940023

IUPACN-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1ccc(C2CC2C)o1
InChIInChI=1S/C15H21NO3/c1-10-8-13(10)14-6-4-12(19-14)5-7-15(18)16(3)9-11(2)17/h4-7,10-11,13,17H,8-9H2,1-3H3
InChIKeyRHZWKRGQOAXYQT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.26
Rot. Bonds5

About N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 76940023) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID76940023
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1ccc(C2CC2C)o1
InChIInChI=1S/C15H21NO3/c1-10-8-13(10)14-6-4-12(19-14)5-7-15(18)16(3)9-11(2)17/h4-7,10-11,13,17H,8-9H2,1-3H3
InChIKeyRHZWKRGQOAXYQT-UHFFFAOYSA-N
XLogP2.26
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[(5-phenylfuran-2-yl)methylidene]pyridine-3-carbonitrile
CID 1780840
(E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 39946379
(E)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 39946381
(E)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 39946384
(E)-1-(2,6-dimethylmorpholin-4-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 42894070
(E)-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one
CID 45872108
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47126485
(E)-N-butyl-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 55763532
1-(2,6-Dimethylmorpholin-4-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 72033183
1-[2-(4-Fluorophenyl)morpholin-4-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one
CID 72054028
N-ethyl-3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855410
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726275

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 76940023) is N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC(O)CN(C)C(=O)C=Cc1ccc(C2CC2C)o1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is RHZWKRGQOAXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-8-13(10)14-6-4-12(19-14)5-7-15(18)16(3)9-11(2)17/h4-7,10-11,13,17H,8-9H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 76940023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).