N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide

C33H39N5O3 — CID 56994008

IUPACN-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cc1OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C33H39N5O3/c1-32(2)17-8-18-33(3,4)38(32)19-20-41-29-21-25(15-16-28(29)40-5)36-31(39)23-11-13-24(14-12-23)35-30-22-34-26-9-6-7-10-27(26)37-30/h6-7,9-16,21-22H,8,17-20H2,1-5H3,(H,35,37)(H,36,39)
InChIKeyZHTBTDWAWKFIHJ-UHFFFAOYSA-N
MW553.71 g/mol
LogP7.06
Rot. Bonds9

About N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide

N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide (PubChem CID 56994008) has the molecular formula C33H39N5O3 and a molecular weight of 553.71 g/mol. Its IUPAC name is N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide
PubChem CID56994008
Molecular FormulaC33H39N5O3
Molecular Weight553.71 g/mol
Exact Mass553.31
IUPAC NameN-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cc1OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C33H39N5O3/c1-32(2)17-8-18-33(3,4)38(32)19-20-41-29-21-25(15-16-28(29)40-5)36-31(39)23-11-13-24(14-12-23)35-30-22-34-26-9-6-7-10-27(26)37-30/h6-7,9-16,21-22H,8,17-20H2,1-5H3,(H,35,37)(H,36,39)
InChIKeyZHTBTDWAWKFIHJ-UHFFFAOYSA-N
XLogP7.06
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-2-(4-phenylphenyl)acetamide
CID 139912002
N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109164154
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 32520661
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
2,6-dichloro-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 86930838
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-hydroxynaphthalene-2-carboxamide
CID 166219863

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide?
The IUPAC name of N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide (CID 56994008) is N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide.
What is the SMILES notation for N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide?
The canonical SMILES for N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide is COc1ccc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cc1OCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide?
The InChIKey is ZHTBTDWAWKFIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O3/c1-32(2)17-8-18-33(3,4)38(32)19-20-41-29-21-25(15-16-28(29)40-5)36-31(39)23-11-13-24(14-12-23)35-30-22-34-26-9-6-7-10-27(26)37-30/h6-7,9-16,21-22H,8,17-20H2,1-5H3,(H,35,37)(H,36,39).
What are the key properties of N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide?
N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide has a molecular weight of 553.71 g/mol, XLogP of 7.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]phenyl]-4-(quinoxalin-2-ylamino)benzamide is sourced from PubChem (CID 56994008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).