N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide

C31H34N2O2 — CID 16718779

IUPACN-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCC1=C(CCN2CCCC2)c2cc(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ccc2C1
InChIInChI=1S/C31H34N2O2/c1-23-19-26-11-12-27(21-30(26)29(23)15-18-33-16-5-6-17-33)32-31(34)20-24-9-13-28(14-10-24)35-22-25-7-3-2-4-8-25/h2-4,7-14,21H,5-6,15-20,22H2,1H3,(H,32,34)
InChIKeyUNQKGEQKQXBQPN-UHFFFAOYSA-N
MW466.63 g/mol
LogP6.26
Rot. Bonds9

About N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide

N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 16718779) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID16718779
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC NameN-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCC1=C(CCN2CCCC2)c2cc(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ccc2C1
InChIInChI=1S/C31H34N2O2/c1-23-19-26-11-12-27(21-30(26)29(23)15-18-33-16-5-6-17-33)32-31(34)20-24-9-13-28(14-10-24)35-22-25-7-3-2-4-8-25/h2-4,7-14,21H,5-6,15-20,22H2,1H3,(H,32,34)
InChIKeyUNQKGEQKQXBQPN-UHFFFAOYSA-N
XLogP6.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylmethoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
CID 11775399
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 574794
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
CID 11213617
2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405904
(3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone
CID 157345113
2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
CID 139794434
N-[3-bromo-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-2-(4-phenoxyphenyl)acetamide
CID 11504558
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide (CID 16718779) is N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide is CC1=C(CCN2CCCC2)c2cc(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ccc2C1.
What is the InChIKey of N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is UNQKGEQKQXBQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-23-19-26-11-12-27(21-30(26)29(23)15-18-33-16-5-6-17-33)32-31(34)20-24-9-13-28(14-10-24)35-22-25-7-3-2-4-8-25/h2-4,7-14,21H,5-6,15-20,22H2,1H3,(H,32,34).
What are the key properties of N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide?
N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 466.63 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 16718779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).