N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide

C17H25NO3 — CID 76911218

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCOCC(O)CN(C)C(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)15-8-5-14(6-9-15)7-10-17(20)18(3)11-16(19)12-21-4/h5-10,13,16,19H,11-12H2,1-4H3
InChIKeyJMINPHMUXQJBGG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.29
Rot. Bonds7

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 76911218) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID76911218
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCOCC(O)CN(C)C(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)15-8-5-14(6-9-15)7-10-17(20)18(3)11-16(19)12-21-4/h5-10,13,16,19H,11-12H2,1-4H3
InChIKeyJMINPHMUXQJBGG-UHFFFAOYSA-N
XLogP2.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.29
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-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 76911057
3-(1,3-benzodioxol-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylprop-2-enamide
CID 76911058
(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6140170
(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 115342798
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2927461
3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 55008527
3-[ethyl-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]propanoic acid
CID 61007476
(E)-3-(4-chlorophenyl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 113248547
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
(E)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19456559
N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
CID 63754011

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 76911218) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide is COCC(O)CN(C)C(=O)C=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is JMINPHMUXQJBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)15-8-5-14(6-9-15)7-10-17(20)18(3)11-16(19)12-21-4/h5-10,13,16,19H,11-12H2,1-4H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 76911218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).