N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide

C32H31NO5 — CID 58384153

IUPACN-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(O)cc2)cc1COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C32H31NO5/c1-23(34)18-24-8-15-30(16-9-24)38-22-28-19-26(10-17-31(28)37-2)21-33(20-25-6-4-3-5-7-25)32(36)27-11-13-29(35)14-12-27/h3-17,19,35H,18,20-22H2,1-2H3
InChIKeySDMWOIYWDIQXMR-UHFFFAOYSA-N
MW509.60 g/mol
LogP5.95
Rot. Bonds11

About N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide

N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide (PubChem CID 58384153) has the molecular formula C32H31NO5 and a molecular weight of 509.60 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide
PubChem CID58384153
Molecular FormulaC32H31NO5
Molecular Weight509.60 g/mol
Exact Mass509.22
IUPAC NameN-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(O)cc2)cc1COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C32H31NO5/c1-23(34)18-24-8-15-30(16-9-24)38-22-28-19-26(10-17-31(28)37-2)21-33(20-25-6-4-3-5-7-25)32(36)27-11-13-29(35)14-12-27/h3-17,19,35H,18,20-22H2,1-2H3
InChIKeySDMWOIYWDIQXMR-UHFFFAOYSA-N
XLogP5.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.60
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]furan-2-carboxamide
CID 58384167
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
CID 170879962
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 24513203
N-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl]-3-amino-N-benzylcyclohepta-2,4,6-triene-1-carboxamide
CID 143980751
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
4-[(2-methoxyphenyl)methyl-[(4-phenoxyphenyl)methyl]carbamoyl]phthalic acid
CID 67767368
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 133149991
2-amino-3-[4-methoxy-3-[(4-propan-2-ylphenoxy)methyl]phenyl]propanoic acid
CID 170879741

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide?
The IUPAC name of N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide (CID 58384153) is N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide?
The canonical SMILES for N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide is COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(O)cc2)cc1COc1ccc(CC(C)=O)cc1.
What is the InChIKey of N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide?
The InChIKey is SDMWOIYWDIQXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO5/c1-23(34)18-24-8-15-30(16-9-24)38-22-28-19-26(10-17-31(28)37-2)21-33(20-25-6-4-3-5-7-25)32(36)27-11-13-29(35)14-12-27/h3-17,19,35H,18,20-22H2,1-2H3.
What are the key properties of N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide?
N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide has a molecular weight of 509.60 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-N-[[4-methoxy-3-[[4-(2-oxopropyl)phenoxy]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 58384153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).