N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide

C23H29NO6 — CID 102376154

IUPACN-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1OC)CC(OC)c1c(CCNC(C)=O)cc(OC)c(OC)c1-2
InChIInChI=1S/C23H29NO6/c1-13(25)24-10-9-14-11-19(28-4)23(30-6)21-15-7-8-17(26-2)22(29-5)16(15)12-18(27-3)20(14)21/h7-8,11,18H,9-10,12H2,1-6H3,(H,24,25)
InChIKeyJPYMDNVLJHNGKG-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide

N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide (PubChem CID 102376154) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide
PubChem CID102376154
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC NameN-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1OC)CC(OC)c1c(CCNC(C)=O)cc(OC)c(OC)c1-2
InChIInChI=1S/C23H29NO6/c1-13(25)24-10-9-14-11-19(28-4)23(30-6)21-15-7-8-17(26-2)22(29-5)16(15)12-18(27-3)20(14)21/h7-8,11,18H,9-10,12H2,1-6H3,(H,24,25)
InChIKeyJPYMDNVLJHNGKG-UHFFFAOYSA-N
XLogP3.31
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,5-dimethoxy-1-oxo-1λ4,2,3-benzotrithiol-7-yl)ethyl]acetamide
CID 11724398
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-(6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acetamide
CID 11188363
N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide
CID 15381971
[5-(2-acetamidoethyl)-2-ethyl-4-methoxyphenyl] acetate
CID 91751232
N-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethyl]acetamide
CID 86043168
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
CID 113096442
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
1-oxo-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydroisochromene-6-carboxamide
CID 166187776
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide (CID 102376154) is N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide is COc1ccc2c(c1OC)CC(OC)c1c(CCNC(C)=O)cc(OC)c(OC)c1-2.
What is the InChIKey of N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide?
The InChIKey is JPYMDNVLJHNGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6/c1-13(25)24-10-9-14-11-19(28-4)23(30-6)21-15-7-8-17(26-2)22(29-5)16(15)12-18(27-3)20(14)21/h7-8,11,18H,9-10,12H2,1-6H3,(H,24,25).
What are the key properties of N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide?
N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,7,8,10-pentamethoxy-9,10-dihydrophenanthren-1-yl)ethyl]acetamide is sourced from PubChem (CID 102376154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).