N,N-diethyl-2-(4-hexoxyanilino)acetamide

C18H30N2O2 — CID 54820685

IUPACN,N-diethyl-2-(4-hexoxyanilino)acetamide
SMILESCCCCCCOc1ccc(NCC(=O)N(CC)CC)cc1
InChIInChI=1S/C18H30N2O2/c1-4-7-8-9-14-22-17-12-10-16(11-13-17)19-15-18(21)20(5-2)6-3/h10-13,19H,4-9,14-15H2,1-3H3
InChIKeyGKFZUAFXZVNEBG-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.93
Rot. Bonds11

About N,N-diethyl-2-(4-hexoxyanilino)acetamide

N,N-diethyl-2-(4-hexoxyanilino)acetamide (PubChem CID 54820685) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-diethyl-2-(4-hexoxyanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-hexoxyanilino)acetamide
PubChem CID54820685
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN,N-diethyl-2-(4-hexoxyanilino)acetamide
SMILESCCCCCCOc1ccc(NCC(=O)N(CC)CC)cc1
InChIInChI=1S/C18H30N2O2/c1-4-7-8-9-14-22-17-12-10-16(11-13-17)19-15-18(21)20(5-2)6-3/h10-13,19H,4-9,14-15H2,1-3H3
InChIKeyGKFZUAFXZVNEBG-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-(3-heptoxyanilino)acetamide
CID 54829038
2-(4-pentoxyanilino)acetic acid
CID 15310380
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
N-cyclohexyl-2-(4-hexoxyanilino)-N-methylacetamide
CID 54821088
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide
CID 54825377

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-hexoxyanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(4-hexoxyanilino)acetamide (CID 54820685) is N,N-diethyl-2-(4-hexoxyanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-hexoxyanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-hexoxyanilino)acetamide is CCCCCCOc1ccc(NCC(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-2-(4-hexoxyanilino)acetamide?
The InChIKey is GKFZUAFXZVNEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-7-8-9-14-22-17-12-10-16(11-13-17)19-15-18(21)20(5-2)6-3/h10-13,19H,4-9,14-15H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-hexoxyanilino)acetamide?
N,N-diethyl-2-(4-hexoxyanilino)acetamide has a molecular weight of 306.45 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-hexoxyanilino)acetamide is sourced from PubChem (CID 54820685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).