N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide

C23H27N3O4 — CID 22510411

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCOc1ccc(OC)c(CCNC(=O)CCCC(=O)n2ncc3cc(C)ccc32)c1
InChIInChI=1S/C23H27N3O4/c1-16-7-9-20-18(13-16)15-25-26(20)23(28)6-4-5-22(27)24-12-11-17-14-19(29-2)8-10-21(17)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,27)
InChIKeyYZLMJQSHQDWZEM-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.53
Rot. Bonds9

About N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide (PubChem CID 22510411) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
PubChem CID22510411
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCOc1ccc(OC)c(CCNC(=O)CCCC(=O)n2ncc3cc(C)ccc32)c1
InChIInChI=1S/C23H27N3O4/c1-16-7-9-20-18(13-16)15-25-26(20)23(28)6-4-5-22(27)24-12-11-17-14-19(29-2)8-10-21(17)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,27)
InChIKeyYZLMJQSHQDWZEM-UHFFFAOYSA-N
XLogP3.53
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
CID 22510255
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 38091464
2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667021
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 3244986

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide (CID 22510411) is N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide is COc1ccc(OC)c(CCNC(=O)CCCC(=O)n2ncc3cc(C)ccc32)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The InChIKey is YZLMJQSHQDWZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16-7-9-20-18(13-16)15-25-26(20)23(28)6-4-5-22(27)24-12-11-17-14-19(29-2)8-10-21(17)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide has a molecular weight of 409.49 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 22510411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).