N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide

C24H27NO7 — CID 10646809

IUPACN-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide
SMILESCOc1cc2cc(CO)c(CO)c(-c3cc(NC(C)=O)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C24H27NO7/c1-13(28)25-19-7-15(9-22(31-4)24(19)32-5)23-17-10-21(30-3)20(29-2)8-14(17)6-16(11-26)18(23)12-27/h6-10,26-27H,11-12H2,1-5H3,(H,25,28)
InChIKeyQMORCHDFEGGWJD-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.48
Rot. Bonds8

About N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide

N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide (PubChem CID 10646809) has the molecular formula C24H27NO7 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide
PubChem CID10646809
Molecular FormulaC24H27NO7
Molecular Weight441.48 g/mol
Exact Mass441.18
IUPAC NameN-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide
SMILESCOc1cc2cc(CO)c(CO)c(-c3cc(NC(C)=O)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C24H27NO7/c1-13(28)25-19-7-15(9-22(31-4)24(19)32-5)23-17-10-21(30-3)20(29-2)8-14(17)6-16(11-26)18(23)12-27/h6-10,26-27H,11-12H2,1-5H3,(H,25,28)
InChIKeyQMORCHDFEGGWJD-UHFFFAOYSA-N
XLogP3.48
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]aniline
CID 11174230
2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
CID 11301193
[4-(3-Amino-4,5-dimethoxyphenyl)-6,7-diethoxy-3-(hydroxymethyl)naphthalen-2-yl]methanol;hydrochloride
CID 45261098
5,8,9,10-tetramethoxy-4-methyl-1H-benzo[g]quinolin-2-one
CID 49799717
N-[2-Methoxy-4-(6-methoxy-2-naphthyl)phenyl]acetamide
CID 59443454
N-[2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenyl]acetamide
CID 11325470
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-1-naphthylacetamide
CID 19621778
N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide
CID 11244951
(17-Acetamido-16,24-diacetyloxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15(27),16,18,22,25-dodecaen-3-yl) acetate
CID 145992794
N-(3,16,24-trihydroxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15(27),16,18,22,25-dodecaen-17-yl)acetamide
CID 145994120
5,10-dimethoxy-4-(4-methoxyphenyl)benzo[g]quinolin-2(1H)-one
CID 54613526
N-(2,5-dimethoxyphenyl)-2-(naphthalen-2-yloxy)acetamide
CID 873386

Frequently Asked Questions

What is the IUPAC name of N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide?
The IUPAC name of N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide (CID 10646809) is N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide?
The canonical SMILES for N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide is COc1cc2cc(CO)c(CO)c(-c3cc(NC(C)=O)c(OC)c(OC)c3)c2cc1OC.
What is the InChIKey of N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide?
The InChIKey is QMORCHDFEGGWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO7/c1-13(28)25-19-7-15(9-22(31-4)24(19)32-5)23-17-10-21(30-3)20(29-2)8-14(17)6-16(11-26)18(23)12-27/h6-10,26-27H,11-12H2,1-5H3,(H,25,28).
What are the key properties of N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide?
N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide has a molecular weight of 441.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2,3-dimethoxyphenyl]acetamide is sourced from PubChem (CID 10646809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).