N-[4-(diethylamino)phenyl]-2-hexoxybenzamide

C23H32N2O2 — CID 4941952

IUPACN-[4-(diethylamino)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C23H32N2O2/c1-4-7-8-11-18-27-22-13-10-9-12-21(22)23(26)24-19-14-16-20(17-15-19)25(5-2)6-3/h9-10,12-17H,4-8,11,18H2,1-3H3,(H,24,26)
InChIKeyGZWXXNIURCHSCE-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.74
Rot. Bonds11

About N-[4-(diethylamino)phenyl]-2-hexoxybenzamide

N-[4-(diethylamino)phenyl]-2-hexoxybenzamide (PubChem CID 4941952) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-hexoxybenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-hexoxybenzamide
PubChem CID4941952
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[4-(diethylamino)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C23H32N2O2/c1-4-7-8-11-18-27-22-13-10-9-12-21(22)23(26)24-19-14-16-20(17-15-19)25(5-2)6-3/h9-10,12-17H,4-8,11,18H2,1-3H3,(H,24,26)
InChIKeyGZWXXNIURCHSCE-UHFFFAOYSA-N
XLogP5.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 4942085
N-[4-(1-aminoethyl)phenyl]-2-dodecoxybenzamide
CID 139738647
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
CID 17235052
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4942290

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-hexoxybenzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-hexoxybenzamide (CID 4941952) is N-[4-(diethylamino)phenyl]-2-hexoxybenzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-hexoxybenzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-hexoxybenzamide is CCCCCCOc1ccccc1C(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-hexoxybenzamide?
The InChIKey is GZWXXNIURCHSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-4-7-8-11-18-27-22-13-10-9-12-21(22)23(26)24-19-14-16-20(17-15-19)25(5-2)6-3/h9-10,12-17H,4-8,11,18H2,1-3H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)phenyl]-2-hexoxybenzamide?
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide has a molecular weight of 368.52 g/mol, XLogP of 5.74, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-hexoxybenzamide is sourced from PubChem (CID 4941952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).