N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide

C15H20N2O3 — CID 154801047

IUPACN-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C15H20N2O3/c1-5-15(20)17(4)9-14(19)16-11-6-7-13(18)12(8-11)10(2)3/h5-8,10,18H,1,9H2,2-4H3,(H,16,19)
InChIKeyVSCIQPXTRWEJNV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds5

About N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide

N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 154801047) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID154801047
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C15H20N2O3/c1-5-15(20)17(4)9-14(19)16-11-6-7-13(18)12(8-11)10(2)3/h5-8,10,18H,1,9H2,2-4H3,(H,16,19)
InChIKeyVSCIQPXTRWEJNV-UHFFFAOYSA-N
XLogP2.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406546
N-methyl-N-[2-oxo-2-[(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]ethyl]prop-2-enamide
CID 166410659
N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide
CID 104583219
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 140967040
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide
CID 167971518
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
(E)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 43010379
N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide
CID 82707355

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide (CID 154801047) is N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)Nc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is VSCIQPXTRWEJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-15(20)17(4)9-14(19)16-11-6-7-13(18)12(8-11)10(2)3/h5-8,10,18H,1,9H2,2-4H3,(H,16,19).
What are the key properties of N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 154801047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).