N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide

C18H24N2O3 — CID 54698690

IUPACN-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=C(C)C)C(C)=C(C)C)c(O)c1
InChIInChI=1S/C18H24N2O3/c1-10(2)12(5)17(11(3)4)18(23)20-15-8-7-14(9-16(15)22)19-13(6)21/h7-9,22H,1-6H3,(H,19,21)(H,20,23)
InChIKeyYORZOZTYJVREQV-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.98
Rot. Bonds4

About N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide

N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide (PubChem CID 54698690) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide.

Molecular Properties

Compound NameN-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide
PubChem CID54698690
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=C(C)C)C(C)=C(C)C)c(O)c1
InChIInChI=1S/C18H24N2O3/c1-10(2)12(5)17(11(3)4)18(23)20-15-8-7-14(9-16(15)22)19-13(6)21/h7-9,22H,1-6H3,(H,19,21)(H,20,23)
InChIKeyYORZOZTYJVREQV-UHFFFAOYSA-N
XLogP3.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
CID 54399317
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide
CID 18982737
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
N-(4-formyl-2-hydroxyphenyl)acetamide
CID 84767760
N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108523165
ethyl N-[2-hydroxy-4-(methylamino)phenyl]carbamate
CID 70037110
N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide
CID 59966433
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295
N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide
CID 146271141
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide?
The IUPAC name of N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide (CID 54698690) is N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide.
What is the SMILES notation for N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide?
The canonical SMILES for N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide is CC(=O)Nc1ccc(NC(=O)C(=C(C)C)C(C)=C(C)C)c(O)c1.
What is the InChIKey of N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide?
The InChIKey is YORZOZTYJVREQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-10(2)12(5)17(11(3)4)18(23)20-15-8-7-14(9-16(15)22)19-13(6)21/h7-9,22H,1-6H3,(H,19,21)(H,20,23).
What are the key properties of N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide?
N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide has a molecular weight of 316.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide is sourced from PubChem (CID 54698690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).