N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide

C16H15NO3 — CID 58902871

IUPACN-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2ccc(NC(C)=O)cc2)cc1C=O
InChIInChI=1S/C16H15NO3/c1-11(19)17-15-6-3-12(4-7-15)13-5-8-16(20-2)14(9-13)10-18/h3-10H,1-2H3,(H,17,19)
InChIKeyRDXUWLPBPCHFRL-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.13
Rot. Bonds4

About N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide

N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide (PubChem CID 58902871) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
PubChem CID58902871
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2ccc(NC(C)=O)cc2)cc1C=O
InChIInChI=1S/C16H15NO3/c1-11(19)17-15-6-3-12(4-7-15)13-5-8-16(20-2)14(9-13)10-18/h3-10H,1-2H3,(H,17,19)
InChIKeyRDXUWLPBPCHFRL-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide
CID 122358590
2-methoxy-5-(methylamino)benzaldehyde
CID 91654246
(E)-3-(5-acetamido-2-methoxyphenyl)prop-2-enoate
CID 7452463
N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634202
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide
CID 98017113
3-(3-formyl-4-methoxyphenyl)prop-2-enoic acid
CID 123194218
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide (CID 58902871) is N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide is COc1ccc(-c2ccc(NC(C)=O)cc2)cc1C=O.
What is the InChIKey of N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide?
The InChIKey is RDXUWLPBPCHFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(19)17-15-6-3-12(4-7-15)13-5-8-16(20-2)14(9-13)10-18/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide?
N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide is sourced from PubChem (CID 58902871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).