N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide

C30H31N3O4 — CID 19972536

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)Cc2cccc3c(=O)cc(-c4ccccc4)oc23)CC1
InChIInChI=1S/C30H31N3O4/c1-36-27-13-6-5-12-25(27)33-18-16-32(17-19-33)15-14-31-29(35)20-23-10-7-11-24-26(34)21-28(37-30(23)24)22-8-3-2-4-9-22/h2-13,21H,14-20H2,1H3,(H,31,35)
InChIKeyOEXBPTHVPRUTQB-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.95
Rot. Bonds8

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide (PubChem CID 19972536) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide
PubChem CID19972536
Molecular FormulaC30H31N3O4
Molecular Weight497.60 g/mol
Exact Mass497.23
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)Cc2cccc3c(=O)cc(-c4ccccc4)oc23)CC1
InChIInChI=1S/C30H31N3O4/c1-36-27-13-6-5-12-25(27)33-18-16-32(17-19-33)15-14-31-29(35)20-23-10-7-11-24-26(34)21-28(37-30(23)24)22-8-3-2-4-9-22/h2-13,21H,14-20H2,1H3,(H,31,35)
InChIKeyOEXBPTHVPRUTQB-UHFFFAOYSA-N
XLogP3.95
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]methyl]-3-methyl-2-phenylchromen-4-one
CID 19972462
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267
N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 72550200
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266764
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
N'-(2-ethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268863
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266897

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide (CID 19972536) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide is COc1ccccc1N1CCN(CCNC(=O)Cc2cccc3c(=O)cc(-c4ccccc4)oc23)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide?
The InChIKey is OEXBPTHVPRUTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-36-27-13-6-5-12-25(27)33-18-16-32(17-19-33)15-14-31-29(35)20-23-10-7-11-24-26(34)21-28(37-30(23)24)22-8-3-2-4-9-22/h2-13,21H,14-20H2,1H3,(H,31,35).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide has a molecular weight of 497.60 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide is sourced from PubChem (CID 19972536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).