N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide

C31H31NO5 — CID 121493797

IUPACN-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide
SMILESCOc1cc(CCc2c(NC(C)=O)ccc(OCc3ccccc3)c2O)ccc1OCc1ccccc1
InChIInChI=1S/C31H31NO5/c1-22(33)32-27-16-18-29(37-21-25-11-7-4-8-12-25)31(34)26(27)15-13-23-14-17-28(30(19-23)35-2)36-20-24-9-5-3-6-10-24/h3-12,14,16-19,34H,13,15,20-21H2,1-2H3,(H,32,33)
InChIKeyLOLRDPRRVJYDPZ-UHFFFAOYSA-N
MW497.59 g/mol
LogP6.30
Rot. Bonds11

About N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide

N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide (PubChem CID 121493797) has the molecular formula C31H31NO5 and a molecular weight of 497.59 g/mol. Its IUPAC name is N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide
PubChem CID121493797
Molecular FormulaC31H31NO5
Molecular Weight497.59 g/mol
Exact Mass497.22
IUPAC NameN-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide
SMILESCOc1cc(CCc2c(NC(C)=O)ccc(OCc3ccccc3)c2O)ccc1OCc1ccccc1
InChIInChI=1S/C31H31NO5/c1-22(33)32-27-16-18-29(37-21-25-11-7-4-8-12-25)31(34)26(27)15-13-23-14-17-28(30(19-23)35-2)36-20-24-9-5-3-6-10-24/h3-12,14,16-19,34H,13,15,20-21H2,1-2H3,(H,32,33)
InChIKeyLOLRDPRRVJYDPZ-UHFFFAOYSA-N
XLogP6.30
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
CID 46884554
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796449
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
3-chloro-4-(3-methoxy-4-phenylmethoxyphenyl)butan-2-one
CID 82185007

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide?
The IUPAC name of N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide (CID 121493797) is N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide.
What is the SMILES notation for N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide?
The canonical SMILES for N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide is COc1cc(CCc2c(NC(C)=O)ccc(OCc3ccccc3)c2O)ccc1OCc1ccccc1.
What is the InChIKey of N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide?
The InChIKey is LOLRDPRRVJYDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO5/c1-22(33)32-27-16-18-29(37-21-25-11-7-4-8-12-25)31(34)26(27)15-13-23-14-17-28(30(19-23)35-2)36-20-24-9-5-3-6-10-24/h3-12,14,16-19,34H,13,15,20-21H2,1-2H3,(H,32,33).
What are the key properties of N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide?
N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide has a molecular weight of 497.59 g/mol, XLogP of 6.30, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-4-phenylmethoxyphenyl]acetamide is sourced from PubChem (CID 121493797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).