N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide

C32H43NO2 — CID 10790677

IUPACN,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide
SMILESCCCC(CCC)N(C(=O)c1c(C(O)c2ccccc2)ccc2ccccc12)C(CCC)CCC
InChIInChI=1S/C32H43NO2/c1-5-14-26(15-6-2)33(27(16-7-3)17-8-4)32(35)30-28-21-13-12-18-24(28)22-23-29(30)31(34)25-19-10-9-11-20-25/h9-13,18-23,26-27,31,34H,5-8,14-17H2,1-4H3
InChIKeyISJOKMBIUWGQEL-UHFFFAOYSA-N
MW473.70 g/mol
LogP8.30
Rot. Bonds13

About N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide

N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide (PubChem CID 10790677) has the molecular formula C32H43NO2 and a molecular weight of 473.70 g/mol. Its IUPAC name is N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide
PubChem CID10790677
Molecular FormulaC32H43NO2
Molecular Weight473.70 g/mol
Exact Mass473.33
IUPAC NameN,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide
SMILESCCCC(CCC)N(C(=O)c1c(C(O)c2ccccc2)ccc2ccccc12)C(CCC)CCC
InChIInChI=1S/C32H43NO2/c1-5-14-26(15-6-2)33(27(16-7-3)17-8-4)32(35)30-28-21-13-12-18-24(28)22-23-29(30)31(34)25-19-10-9-11-20-25/h9-13,18-23,26-27,31,34H,5-8,14-17H2,1-4H3
InChIKeyISJOKMBIUWGQEL-UHFFFAOYSA-N
XLogP8.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.70
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide (CID 10790677) is N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide is CCCC(CCC)N(C(=O)c1c(C(O)c2ccccc2)ccc2ccccc12)C(CCC)CCC.
What is the InChIKey of N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide?
The InChIKey is ISJOKMBIUWGQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43NO2/c1-5-14-26(15-6-2)33(27(16-7-3)17-8-4)32(35)30-28-21-13-12-18-24(28)22-23-29(30)31(34)25-19-10-9-11-20-25/h9-13,18-23,26-27,31,34H,5-8,14-17H2,1-4H3.
What are the key properties of N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide?
N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide has a molecular weight of 473.70 g/mol, XLogP of 8.30, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(heptan-4-yl)-2-[hydroxy(phenyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 10790677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).