N-[bis(4-methoxyphenyl)methyl]formamide

C16H17NO3 — CID 878978

IUPACN-[bis(4-methoxyphenyl)methyl]formamide
SMILESCOc1ccc(C(NC=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-7-3-12(4-8-14)16(17-11-18)13-5-9-15(20-2)10-6-13/h3-11,16H,1-2H3,(H,17,18)
InChIKeyWYJKGEVKQVHGGQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.54
Rot. Bonds6

About N-[bis(4-methoxyphenyl)methyl]formamide

N-[bis(4-methoxyphenyl)methyl]formamide (PubChem CID 878978) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]formamide
PubChem CID878978
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[bis(4-methoxyphenyl)methyl]formamide
SMILESCOc1ccc(C(NC=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-7-3-12(4-8-14)16(17-11-18)13-5-9-15(20-2)10-6-13/h3-11,16H,1-2H3,(H,17,18)
InChIKeyWYJKGEVKQVHGGQ-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]formamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]formamide (CID 878978) is N-[bis(4-methoxyphenyl)methyl]formamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]formamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]formamide is COc1ccc(C(NC=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]formamide?
The InChIKey is WYJKGEVKQVHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-14-7-3-12(4-8-14)16(17-11-18)13-5-9-15(20-2)10-6-13/h3-11,16H,1-2H3,(H,17,18).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]formamide?
N-[bis(4-methoxyphenyl)methyl]formamide has a molecular weight of 271.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]formamide is sourced from PubChem (CID 878978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).