N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide

C39H50N2O4 — CID 66807814

IUPACN,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide
SMILESCCCC(O)(CCCc1cccc2ccccc12)CNC(=O)CC(=O)NCC(O)(CCC)CCCc1cccc2ccccc12
InChIInChI=1S/C39H50N2O4/c1-3-23-38(44,25-11-19-32-17-9-15-30-13-5-7-21-34(30)32)28-40-36(42)27-37(43)41-29-39(45,24-4-2)26-12-20-33-18-10-16-31-14-6-8-22-35(31)33/h5-10,13-18,21-22,44-45H,3-4,11-12,19-20,23-29H2,1-2H3,(H,40,42)(H,41,43)
InChIKeyWRGXPTLZDBMHLQ-UHFFFAOYSA-N
MW610.84 g/mol
LogP7.02
Rot. Bonds18

About N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide

N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide (PubChem CID 66807814) has the molecular formula C39H50N2O4 and a molecular weight of 610.84 g/mol. Its IUPAC name is N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide
PubChem CID66807814
Molecular FormulaC39H50N2O4
Molecular Weight610.84 g/mol
Exact Mass610.38
IUPAC NameN,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide
SMILESCCCC(O)(CCCc1cccc2ccccc12)CNC(=O)CC(=O)NCC(O)(CCC)CCCc1cccc2ccccc12
InChIInChI=1S/C39H50N2O4/c1-3-23-38(44,25-11-19-32-17-9-15-30-13-5-7-21-34(30)32)28-40-36(42)27-37(43)41-29-39(45,24-4-2)26-12-20-33-18-10-16-31-14-6-8-22-35(31)33/h5-10,13-18,21-22,44-45H,3-4,11-12,19-20,23-29H2,1-2H3,(H,40,42)(H,41,43)
InChIKeyWRGXPTLZDBMHLQ-UHFFFAOYSA-N
XLogP7.02
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.84
LogP ≤ 57.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
1-butylnaphthalene;ethane
CID 142087052
N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide
CID 87435570
2-amino-2-methyl-N-(2-naphthalen-1-ylethyl)pentanamide;hydrochloride
CID 119722534
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
1-pentylnaphthalene;sulfuric acid
CID 172842201
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963
2-methyl-5-naphthalen-1-ylpentan-2-amine
CID 116925299
1-octadecylnaphthalene;sulfuric acid
CID 172709808
1-nonylnaphthalene;sulfuric acid
CID 154996092

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide?
The IUPAC name of N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide (CID 66807814) is N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide.
What is the SMILES notation for N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide?
The canonical SMILES for N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide is CCCC(O)(CCCc1cccc2ccccc12)CNC(=O)CC(=O)NCC(O)(CCC)CCCc1cccc2ccccc12.
What is the InChIKey of N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide?
The InChIKey is WRGXPTLZDBMHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50N2O4/c1-3-23-38(44,25-11-19-32-17-9-15-30-13-5-7-21-34(30)32)28-40-36(42)27-37(43)41-29-39(45,24-4-2)26-12-20-33-18-10-16-31-14-6-8-22-35(31)33/h5-10,13-18,21-22,44-45H,3-4,11-12,19-20,23-29H2,1-2H3,(H,40,42)(H,41,43).
What are the key properties of N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide?
N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide has a molecular weight of 610.84 g/mol, XLogP of 7.02, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide is sourced from PubChem (CID 66807814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).