N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide

C13H16N2O3 — CID 30850442

IUPACN-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)/C=C/N(C)C)c(O)c1
InChIInChI=1S/C13H16N2O3/c1-9(16)14-10-4-5-11(13(18)8-10)12(17)6-7-15(2)3/h4-8,18H,1-3H3,(H,14,16)/b7-6+
InChIKeyZRLJCUGVVOSVKU-VOTSOKGWSA-N
MW248.28 g/mol
LogP1.61
Rot. Bonds4

About N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide

N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide (PubChem CID 30850442) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide
PubChem CID30850442
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)/C=C/N(C)C)c(O)c1
InChIInChI=1S/C13H16N2O3/c1-9(16)14-10-4-5-11(13(18)8-10)12(17)6-7-15(2)3/h4-8,18H,1-3H3,(H,14,16)/b7-6+
InChIKeyZRLJCUGVVOSVKU-VOTSOKGWSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 72789848
acetyl 4-acetamido-2-hydroxybenzoate
CID 88771409
N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
CID 39334526
N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide
CID 102522207
(E)-1-(5-chloro-2-hydroxy-4-methylphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 171617110
(E)-3-(dimethylamino)-1-(2,4,5-trichlorophenyl)prop-2-en-1-one
CID 155970268
(Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
CID 98338444
1-[4-(3-chloropropoxy)-2-hydroxyphenyl]-3-(dimethylamino)prop-2-en-1-one
CID 2766149
3-(dimethylamino)-1-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 75210946
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295
4-(4-acetamido-2-hydroxyphenyl)-4-oxobutanoic acid
CID 14910077
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide?
The IUPAC name of N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide (CID 30850442) is N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide?
The canonical SMILES for N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(C(=O)/C=C/N(C)C)c(O)c1.
What is the InChIKey of N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide?
The InChIKey is ZRLJCUGVVOSVKU-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)14-10-4-5-11(13(18)8-10)12(17)6-7-15(2)3/h4-8,18H,1-3H3,(H,14,16)/b7-6+.
What are the key properties of N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide?
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide is sourced from PubChem (CID 30850442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).