N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide

C22H21NO3 — CID 53320546

IUPACN-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2cccc(-c3ccc(CO)cc3)c2)c1
InChIInChI=1S/C22H21NO3/c1-23(22(25)19-6-4-8-21(14-19)26-2)20-7-3-5-18(13-20)17-11-9-16(15-24)10-12-17/h3-14,24H,15H2,1-2H3
InChIKeyVWZGITLOILWTQY-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.13
Rot. Bonds5

About N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide

N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide (PubChem CID 53320546) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide
PubChem CID53320546
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2cccc(-c3ccc(CO)cc3)c2)c1
InChIInChI=1S/C22H21NO3/c1-23(22(25)19-6-4-8-21(14-19)26-2)20-7-3-5-18(13-20)17-11-9-16(15-24)10-12-17/h3-14,24H,15H2,1-2H3
InChIKeyVWZGITLOILWTQY-UHFFFAOYSA-N
XLogP4.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide (CID 53320546) is N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)c2cccc(-c3ccc(CO)cc3)c2)c1.
What is the InChIKey of N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide?
The InChIKey is VWZGITLOILWTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-23(22(25)19-6-4-8-21(14-19)26-2)20-7-3-5-18(13-20)17-11-9-16(15-24)10-12-17/h3-14,24H,15H2,1-2H3.
What are the key properties of N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide?
N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide has a molecular weight of 347.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)phenyl]phenyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 53320546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).