N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide

C21H19NO2 — CID 155311289

IUPACN-(3-benzyl-4-methoxy-5-phenylphenyl)formamide
SMILESCOc1c(Cc2ccccc2)cc(NC=O)cc1-c1ccccc1
InChIInChI=1S/C21H19NO2/c1-24-21-18(12-16-8-4-2-5-9-16)13-19(22-15-23)14-20(21)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,22,23)
InChIKeyRTLDTSYDLOASDI-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.52
Rot. Bonds6

About N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide

N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide (PubChem CID 155311289) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxy-5-phenylphenyl)formamide
PubChem CID155311289
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC NameN-(3-benzyl-4-methoxy-5-phenylphenyl)formamide
SMILESCOc1c(Cc2ccccc2)cc(NC=O)cc1-c1ccccc1
InChIInChI=1S/C21H19NO2/c1-24-21-18(12-16-8-4-2-5-9-16)13-19(22-15-23)14-20(21)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,22,23)
InChIKeyRTLDTSYDLOASDI-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
CID 175958924
4-benzyl-2-methoxy-3-(3-phenylphenyl)benzaldehyde
CID 139491698
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
1-benzyl-2,4,5-triphenylbenzene
CID 143291526
3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 176909607
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
benzylbenzene;methoxymethane
CID 161110966
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
CID 173306143
1-methoxy-3-[(2-phenylphenyl)methyl]benzene
CID 150811208
6-benzyl-5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 100971114
2-benzyl-1-methoxynaphthalene
CID 15617899
(2-benzyl-6-phenylphenyl) dihydrogen phosphate
CID 141022592

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide?
The IUPAC name of N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide (CID 155311289) is N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide.
What is the SMILES notation for N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide?
The canonical SMILES for N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide is COc1c(Cc2ccccc2)cc(NC=O)cc1-c1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide?
The InChIKey is RTLDTSYDLOASDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-24-21-18(12-16-8-4-2-5-9-16)13-19(22-15-23)14-20(21)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,22,23).
What are the key properties of N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide?
N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide has a molecular weight of 317.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxy-5-phenylphenyl)formamide is sourced from PubChem (CID 155311289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).