N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide

C14H13N3O3 — CID 99976275

IUPACN-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ncc(C=O)cn2)cc1
InChIInChI=1S/C14H13N3O3/c1-10(19)17-12-2-4-13(5-3-12)20-9-14-15-6-11(8-18)7-16-14/h2-8H,9H2,1H3,(H,17,19)
InChIKeyWUNHNZIAPJDSRH-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.83
Rot. Bonds5

About N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide

N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide (PubChem CID 99976275) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide
PubChem CID99976275
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ncc(C=O)cn2)cc1
InChIInChI=1S/C14H13N3O3/c1-10(19)17-12-2-4-13(5-3-12)20-9-14-15-6-11(8-18)7-16-14/h2-8H,9H2,1H3,(H,17,19)
InChIKeyWUNHNZIAPJDSRH-UHFFFAOYSA-N
XLogP1.83
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39333258
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
N-(4-acetamidophenyl)-N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3425662
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine
CID 87691755
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
N-[4-[(E)-2-chloro-3-phenylprop-2-enoxy]phenyl]acetamide
CID 139691926

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide (CID 99976275) is N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2ncc(C=O)cn2)cc1.
What is the InChIKey of N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide?
The InChIKey is WUNHNZIAPJDSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10(19)17-12-2-4-13(5-3-12)20-9-14-15-6-11(8-18)7-16-14/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide?
N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 99976275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).