N,N'-bis(2-butoxyphenyl)hexanediamide

C26H36N2O4 — CID 17087317

IUPACN,N'-bis(2-butoxyphenyl)hexanediamide
SMILESCCCCOc1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1OCCCC
InChIInChI=1S/C26H36N2O4/c1-3-5-19-31-23-15-9-7-13-21(23)27-25(29)17-11-12-18-26(30)28-22-14-8-10-16-24(22)32-20-6-4-2/h7-10,13-16H,3-6,11-12,17-20H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUPPFRBXFSASPQS-UHFFFAOYSA-N
MW440.58 g/mol
LogP6.18
Rot. Bonds15

About N,N'-bis(2-butoxyphenyl)hexanediamide

N,N'-bis(2-butoxyphenyl)hexanediamide (PubChem CID 17087317) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N,N'-bis(2-butoxyphenyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(2-butoxyphenyl)hexanediamide
PubChem CID17087317
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC NameN,N'-bis(2-butoxyphenyl)hexanediamide
SMILESCCCCOc1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1OCCCC
InChIInChI=1S/C26H36N2O4/c1-3-5-19-31-23-15-9-7-13-21(23)27-25(29)17-11-12-18-26(30)28-22-14-8-10-16-24(22)32-20-6-4-2/h7-10,13-16H,3-6,11-12,17-20H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUPPFRBXFSASPQS-UHFFFAOYSA-N
XLogP6.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 56.18
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

N-(2-butoxyphenyl)tetradecanamide
CID 54789601
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
N-(2-butoxyphenyl)propanamide
CID 15943029
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
N-(2-ethoxyphenyl)octanamide
CID 4158866
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 55906665
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-butoxyphenyl)hexanediamide?
The IUPAC name of N,N'-bis(2-butoxyphenyl)hexanediamide (CID 17087317) is N,N'-bis(2-butoxyphenyl)hexanediamide.
What is the SMILES notation for N,N'-bis(2-butoxyphenyl)hexanediamide?
The canonical SMILES for N,N'-bis(2-butoxyphenyl)hexanediamide is CCCCOc1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1OCCCC.
What is the InChIKey of N,N'-bis(2-butoxyphenyl)hexanediamide?
The InChIKey is UPPFRBXFSASPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-3-5-19-31-23-15-9-7-13-21(23)27-25(29)17-11-12-18-26(30)28-22-14-8-10-16-24(22)32-20-6-4-2/h7-10,13-16H,3-6,11-12,17-20H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(2-butoxyphenyl)hexanediamide?
N,N'-bis(2-butoxyphenyl)hexanediamide has a molecular weight of 440.58 g/mol, XLogP of 6.18, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-butoxyphenyl)hexanediamide is sourced from PubChem (CID 17087317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).