N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

C32H38N2O4 — CID 66626400

IUPACN-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCOc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(=O)c1ccc(OCCN3CCCCC3)cc1)C2
InChIInChI=1S/C32H38N2O4/c1-36-28-13-10-24-20-26(7-6-25(24)21-28)30-15-14-29(37-2)22-31(30)33-32(35)23-8-11-27(12-9-23)38-19-18-34-16-4-3-5-17-34/h8-15,21-22,26H,3-7,16-20H2,1-2H3,(H,33,35)
InChIKeyMKHKZMTYAIBUFO-UHFFFAOYSA-N
MW514.67 g/mol
LogP6.09
Rot. Bonds9

About N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 66626400) has the molecular formula C32H38N2O4 and a molecular weight of 514.67 g/mol. Its IUPAC name is N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID66626400
Molecular FormulaC32H38N2O4
Molecular Weight514.67 g/mol
Exact Mass514.28
IUPAC NameN-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCOc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(=O)c1ccc(OCCN3CCCCC3)cc1)C2
InChIInChI=1S/C32H38N2O4/c1-36-28-13-10-24-20-26(7-6-25(24)21-28)30-15-14-29(37-2)22-31(30)33-32(35)23-8-11-27(12-9-23)38-19-18-34-16-4-3-5-17-34/h8-15,21-22,26H,3-7,16-20H2,1-2H3,(H,33,35)
InChIKeyMKHKZMTYAIBUFO-UHFFFAOYSA-N
XLogP6.09
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline
CID 69036632
6-[2-[3-[4-[2-(azetidin-1-yl)ethoxy]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66627754
(6R)-6-[2-[ethyl-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58023063
N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methoxyphenyl]acetamide
CID 154681620
2-[6-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxyaniline
CID 66626407
4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide
CID 159304007
6-[2-[1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-ylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66627406
N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propan-2-ylaniline
CID 66627004
N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090288
N-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-methoxy-2-(6-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalen-2-yl)aniline
CID 66627901
6-methoxy-2-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 22960586
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[[4-(2-piperazin-1-ylethoxy)phenyl]methyl]aniline
CID 66627277

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 66626400) is N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is COc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(=O)c1ccc(OCCN3CCCCC3)cc1)C2.
What is the InChIKey of N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is MKHKZMTYAIBUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O4/c1-36-28-13-10-24-20-26(7-6-25(24)21-28)30-15-14-29(37-2)22-31(30)33-32(35)23-8-11-27(12-9-23)38-19-18-34-16-4-3-5-17-34/h8-15,21-22,26H,3-7,16-20H2,1-2H3,(H,33,35).
What are the key properties of N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 514.67 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 66626400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).