4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide

C16H16N4O3 — CID 167860533

IUPAC4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)NCCOc2ncccn2)cc1
InChIInChI=1S/C16H16N4O3/c1-2-14(21)20-13-6-4-12(5-7-13)15(22)17-10-11-23-16-18-8-3-9-19-16/h2-9H,1,10-11H2,(H,17,22)(H,20,21)
InChIKeyRYDALNPKPJYZQU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.41
Rot. Bonds7

About 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide

4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide (PubChem CID 167860533) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide
PubChem CID167860533
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)NCCOc2ncccn2)cc1
InChIInChI=1S/C16H16N4O3/c1-2-14(21)20-13-6-4-12(5-7-13)15(22)17-10-11-23-16-18-8-3-9-19-16/h2-9H,1,10-11H2,(H,17,22)(H,20,21)
InChIKeyRYDALNPKPJYZQU-UHFFFAOYSA-N
XLogP1.41
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide
CID 166409112
4-(prop-2-enoylamino)-N-sulfamoylbenzamide
CID 20608051
4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen
CID 162753020
6-[[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]benzoyl]amino]hexanoic acid
CID 101380144
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
pyridin-4-ylmethyl 4-(prop-2-enoylamino)benzoate
CID 166404376
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
N-[2-(4-methylphenoxy)ethyl]-4-(pyridin-4-ylamino)benzamide
CID 166210170
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide?
The IUPAC name of 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide (CID 167860533) is 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide?
The canonical SMILES for 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide is C=CC(=O)Nc1ccc(C(=O)NCCOc2ncccn2)cc1.
What is the InChIKey of 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide?
The InChIKey is RYDALNPKPJYZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-2-14(21)20-13-6-4-12(5-7-13)15(22)17-10-11-23-16-18-8-3-9-19-16/h2-9H,1,10-11H2,(H,17,22)(H,20,21).
What are the key properties of 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide?
4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide has a molecular weight of 312.33 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoylamino)-N-(2-pyrimidin-2-yloxyethyl)benzamide is sourced from PubChem (CID 167860533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).