N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide

C30H30N6O2 — CID 19372252

IUPACN-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide
SMILESC/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c12)c1nn[nH]n1
InChIInChI=1S/C30H30N6O2/c1-22(30-31-33-34-32-30)18-25-19-36(20-28(37)35(2)17-16-23-10-5-3-6-11-23)26-14-9-15-27(29(25)26)38-21-24-12-7-4-8-13-24/h3-15,18-19H,16-17,20-21H2,1-2H3,(H,31,32,33,34)/b22-18+
InChIKeyZFSYATRHLCTYHG-RELWKKBWSA-N
MW506.61 g/mol
LogP4.99
Rot. Bonds10

About N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide

N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide (PubChem CID 19372252) has the molecular formula C30H30N6O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide
PubChem CID19372252
Molecular FormulaC30H30N6O2
Molecular Weight506.61 g/mol
Exact Mass506.24
IUPAC NameN-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide
SMILESC/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c12)c1nn[nH]n1
InChIInChI=1S/C30H30N6O2/c1-22(30-31-33-34-32-30)18-25-19-36(20-28(37)35(2)17-16-23-10-5-3-6-11-23)26-14-9-15-27(29(25)26)38-21-24-12-7-4-8-13-24/h3-15,18-19H,16-17,20-21H2,1-2H3,(H,31,32,33,34)/b22-18+
InChIKeyZFSYATRHLCTYHG-RELWKKBWSA-N
XLogP4.99
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
CID 10741107
1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 10503348
ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate
CID 19372330
(E)-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoic acid
CID 10814139
2-[[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]methylidene]butanoic acid
CID 54097807
2-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]acetic acid
CID 11798055
3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-6-phenylmethoxyindol-3-yl]propanoic acid
CID 19372228
methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate
CID 10650511
methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoate
CID 19372238
2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 154159939
3-[1-[2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoic acid
CID 19372260
3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]indol-3-yl]propanoic acid
CID 54082208

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide?
The IUPAC name of N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide (CID 19372252) is N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide is C/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c12)c1nn[nH]n1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide?
The InChIKey is ZFSYATRHLCTYHG-RELWKKBWSA-N. The full InChI is InChI=1S/C30H30N6O2/c1-22(30-31-33-34-32-30)18-25-19-36(20-28(37)35(2)17-16-23-10-5-3-6-11-23)26-14-9-15-27(29(25)26)38-21-24-12-7-4-8-13-24/h3-15,18-19H,16-17,20-21H2,1-2H3,(H,31,32,33,34)/b22-18+.
What are the key properties of N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide?
N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide has a molecular weight of 506.61 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide is sourced from PubChem (CID 19372252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).