6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide

C40H36N2O2 — CID 66663727

IUPAC6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
SMILESCCC(c1ccccc1)N(C(=O)c1cccc2cc(-c3ccc4c(C(N)=O)cccc4c3)ccc12)C(CC)c1ccccc1
InChIInChI=1S/C40H36N2O2/c1-3-37(27-13-7-5-8-14-27)42(38(4-2)28-15-9-6-10-16-28)40(44)36-20-12-18-32-26-30(22-24-34(32)36)29-21-23-33-31(25-29)17-11-19-35(33)39(41)43/h5-26,37-38H,3-4H2,1-2H3,(H2,41,43)
InChIKeySBQGWJVHJXCELF-UHFFFAOYSA-N
MW576.74 g/mol
LogP9.50
Rot. Bonds9

About 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide

6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide (PubChem CID 66663727) has the molecular formula C40H36N2O2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
PubChem CID66663727
Molecular FormulaC40H36N2O2
Molecular Weight576.74 g/mol
Exact Mass576.28
IUPAC Name6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
SMILESCCC(c1ccccc1)N(C(=O)c1cccc2cc(-c3ccc4c(C(N)=O)cccc4c3)ccc12)C(CC)c1ccccc1
InChIInChI=1S/C40H36N2O2/c1-3-37(27-13-7-5-8-14-27)42(38(4-2)28-15-9-6-10-16-28)40(44)36-20-12-18-32-26-30(22-24-34(32)36)29-21-23-33-31(25-29)17-11-19-35(33)39(41)43/h5-26,37-38H,3-4H2,1-2H3,(H2,41,43)
InChIKeySBQGWJVHJXCELF-UHFFFAOYSA-N
XLogP9.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 59.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide
CID 140573292
6-(2-hydroxyphenyl)naphthalene-1-carboxamide
CID 69279515
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
CID 129133768
CID 129133768
6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide
CID 66663726
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
10-aminoanthracene-1-carboxamide
CID 23131366
N,N-dimethylchrysene-1-carboxamide
CID 140682617
methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate
CID 88995479
2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide
CID 123136749
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033

Frequently Asked Questions

What is the IUPAC name of 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide?
The IUPAC name of 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide (CID 66663727) is 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide is CCC(c1ccccc1)N(C(=O)c1cccc2cc(-c3ccc4c(C(N)=O)cccc4c3)ccc12)C(CC)c1ccccc1.
What is the InChIKey of 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide?
The InChIKey is SBQGWJVHJXCELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O2/c1-3-37(27-13-7-5-8-14-27)42(38(4-2)28-15-9-6-10-16-28)40(44)36-20-12-18-32-26-30(22-24-34(32)36)29-21-23-33-31(25-29)17-11-19-35(33)39(41)43/h5-26,37-38H,3-4H2,1-2H3,(H2,41,43).
What are the key properties of 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide?
6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide has a molecular weight of 576.74 g/mol, XLogP of 9.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 66663727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).