N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide

C21H36N2O2 — CID 70067011

IUPACN-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)c1ccc(OCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C21H36N2O2/c1-7-8-9-10-21(24)22(6)19-11-13-20(14-12-19)25-16-15-23(17(2)3)18(4)5/h11-14,17-18H,7-10,15-16H2,1-6H3
InChIKeyKRZZPPUZGUFVLV-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.73
Rot. Bonds11

About N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide

N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide (PubChem CID 70067011) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide.

Molecular Properties

Compound NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide
PubChem CID70067011
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)c1ccc(OCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C21H36N2O2/c1-7-8-9-10-21(24)22(6)19-11-13-20(14-12-19)25-16-15-23(17(2)3)18(4)5/h11-14,17-18H,7-10,15-16H2,1-6H3
InChIKeyKRZZPPUZGUFVLV-UHFFFAOYSA-N
XLogP4.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexanamide
CID 70058532
3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
CID 98784032
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
N-methyl-N-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 102225702
N-methyl-N-phenylnonanamide
CID 54136731
N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide
CID 28755910
N-methyl-N-(4-octoxyphenyl)prop-2-enamide
CID 134245809
N-methyl-2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 98784031
9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide
CID 14555680
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
CID 86920290

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide?
The IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide (CID 70067011) is N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide.
What is the SMILES notation for N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide?
The canonical SMILES for N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide is CCCCCC(=O)N(C)c1ccc(OCCN(C(C)C)C(C)C)cc1.
What is the InChIKey of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide?
The InChIKey is KRZZPPUZGUFVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-7-8-9-10-21(24)22(6)19-11-13-20(14-12-19)25-16-15-23(17(2)3)18(4)5/h11-14,17-18H,7-10,15-16H2,1-6H3.
What are the key properties of N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide?
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide has a molecular weight of 348.53 g/mol, XLogP of 4.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide is sourced from PubChem (CID 70067011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).