N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide

C42H33N3O3 — CID 67257199

IUPACN-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1cc(NC(=O)Cc2ccc3ccccc3c2)cc(NC(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C42H33N3O3/c46-40(22-28-13-16-31-7-1-4-10-34(31)19-28)43-37-25-38(44-41(47)23-29-14-17-32-8-2-5-11-35(32)20-29)27-39(26-37)45-42(48)24-30-15-18-33-9-3-6-12-36(33)21-30/h1-21,25-27H,22-24H2,(H,43,46)(H,44,47)(H,45,48)
InChIKeyPADOXZJEDZVFJB-UHFFFAOYSA-N
MW627.74 g/mol
LogP8.69
Rot. Bonds9

About N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide

N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide (PubChem CID 67257199) has the molecular formula C42H33N3O3 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
PubChem CID67257199
Molecular FormulaC42H33N3O3
Molecular Weight627.74 g/mol
Exact Mass627.25
IUPAC NameN-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1cc(NC(=O)Cc2ccc3ccccc3c2)cc(NC(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C42H33N3O3/c46-40(22-28-13-16-31-7-1-4-10-34(31)19-28)43-37-25-38(44-41(47)23-29-14-17-32-8-2-5-11-35(32)20-29)27-39(26-37)45-42(48)24-30-15-18-33-9-3-6-12-36(33)21-30/h1-21,25-27H,22-24H2,(H,43,46)(H,44,47)(H,45,48)
InChIKeyPADOXZJEDZVFJB-UHFFFAOYSA-N
XLogP8.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 58.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
2-naphthalen-2-yl-N-pyridin-4-ylacetamide
CID 25336159
2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
CID 6461297
N-(4-amino-3,5-dichlorophenyl)-2-naphthalen-2-ylacetamide
CID 27161017
N-(3-hydroxyphenyl)-2-naphthalen-2-ylacetamide
CID 28739776
N-(4-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 16849660
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 46671357
N-(3-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 9165110
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide (CID 67257199) is N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)Nc1cc(NC(=O)Cc2ccc3ccccc3c2)cc(NC(=O)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide?
The InChIKey is PADOXZJEDZVFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N3O3/c46-40(22-28-13-16-31-7-1-4-10-34(31)19-28)43-37-25-38(44-41(47)23-29-14-17-32-8-2-5-11-35(32)20-29)27-39(26-37)45-42(48)24-30-15-18-33-9-3-6-12-36(33)21-30/h1-21,25-27H,22-24H2,(H,43,46)(H,44,47)(H,45,48).
What are the key properties of N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide?
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide has a molecular weight of 627.74 g/mol, XLogP of 8.69, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 67257199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).