5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide

C31H33N3O3 — CID 11134808

IUPAC5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
SMILESCCCCCCOc1cc(C(=O)Nc2ccccn2)cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C31H33N3O3/c1-3-4-5-10-17-37-28-20-26(19-27(21-28)31(36)34-29-13-8-9-16-32-29)30(35)33-22(2)24-15-14-23-11-6-7-12-25(23)18-24/h6-9,11-16,18-22H,3-5,10,17H2,1-2H3,(H,33,35)(H,32,34,36)/t22-/m1/s1
InChIKeyGPDLZXHFHNTQNN-JOCHJYFZSA-N
MW495.62 g/mol
LogP6.94
Rot. Bonds11

About 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide

5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide (PubChem CID 11134808) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
PubChem CID11134808
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Name5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
SMILESCCCCCCOc1cc(C(=O)Nc2ccccn2)cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C31H33N3O3/c1-3-4-5-10-17-37-28-20-26(19-27(21-28)31(36)34-29-13-8-9-16-32-29)30(35)33-22(2)24-15-14-23-11-6-7-12-25(23)18-24/h6-9,11-16,18-22H,3-5,10,17H2,1-2H3,(H,33,35)(H,32,34,36)/t22-/m1/s1
InChIKeyGPDLZXHFHNTQNN-JOCHJYFZSA-N
XLogP6.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 146672049
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 10958899
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide
CID 112768599
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 55334786
3-cyano-N-(1-naphthalen-2-ylethyl)benzamide
CID 4824219
3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 7899681
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
CID 17177482

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide (CID 11134808) is 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide is CCCCCCOc1cc(C(=O)Nc2ccccn2)cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1.
What is the InChIKey of 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is GPDLZXHFHNTQNN-JOCHJYFZSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-3-4-5-10-17-37-28-20-26(19-27(21-28)31(36)34-29-13-8-9-16-32-29)30(35)33-22(2)24-15-14-23-11-6-7-12-25(23)18-24/h6-9,11-16,18-22H,3-5,10,17H2,1-2H3,(H,33,35)(H,32,34,36)/t22-/m1/s1.
What are the key properties of 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide?
5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 495.62 g/mol, XLogP of 6.94, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 11134808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).