N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide

C30H34N2O4 — CID 142011046

IUPACN-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C30H34N2O4/c33-29(21-32-19-9-3-8-14-30(32)34)31-18-17-24-15-16-27(35-22-25-10-4-1-5-11-25)28(20-24)36-23-26-12-6-2-7-13-26/h1-2,4-7,10-13,15-16,20H,3,8-9,14,17-19,21-23H2,(H,31,33)
InChIKeyWWJGWMOEFKYVLK-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.91
Rot. Bonds11

About N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide

N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 142011046) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID142011046
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC NameN-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C30H34N2O4/c33-29(21-32-19-9-3-8-14-30(32)34)31-18-17-24-15-16-27(35-22-25-10-4-1-5-11-25)28(20-24)36-23-26-12-6-2-7-13-26/h1-2,4-7,10-13,15-16,20H,3,8-9,14,17-19,21-23H2,(H,31,33)
InChIKeyWWJGWMOEFKYVLK-UHFFFAOYSA-N
XLogP4.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8677167
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
4-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-4-oxobutanoic acid;methanol
CID 164862986
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 74239482
N-(2-naphthalen-1-ylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78865136
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 32856449
N-[2-(7-methoxynaphthalen-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 19021896
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide (CID 142011046) is N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide is O=C(CN1CCCCCC1=O)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is WWJGWMOEFKYVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c33-29(21-32-19-9-3-8-14-30(32)34)31-18-17-24-15-16-27(35-22-25-10-4-1-5-11-25)28(20-24)36-23-26-12-6-2-7-13-26/h1-2,4-7,10-13,15-16,20H,3,8-9,14,17-19,21-23H2,(H,31,33).
What are the key properties of N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 486.61 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 142011046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).