N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide

C24H36N2O3 — CID 88608313

IUPACN,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
SMILESCC(CC(=O)NO)c1ccc(OC(C)c2ccccc2)cc1.CCN(CC)CC
InChIInChI=1S/C18H21NO3.C6H15N/c1-13(12-18(20)19-21)15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16;1-4-7(5-2)6-3/h3-11,13-14,21H,12H2,1-2H3,(H,19,20);4-6H2,1-3H3
InChIKeyHLTJKBUEZDPSHS-UHFFFAOYSA-N
MW400.56 g/mol
LogP5.17
Rot. Bonds9

About N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide

N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide (PubChem CID 88608313) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide.

Molecular Properties

Compound NameN,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
PubChem CID88608313
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC NameN,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
SMILESCC(CC(=O)NO)c1ccc(OC(C)c2ccccc2)cc1.CCN(CC)CC
InChIInChI=1S/C18H21NO3.C6H15N/c1-13(12-18(20)19-21)15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16;1-4-7(5-2)6-3/h3-11,13-14,21H,12H2,1-2H3,(H,19,20);4-6H2,1-3H3
InChIKeyHLTJKBUEZDPSHS-UHFFFAOYSA-N
XLogP5.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
CID 19868724
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 4042816
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
(3R)-3-[[(3S)-3-phenylbutanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 7044840
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide
CID 88651998
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
CID 19828168
1,1'-biphenyl;N-methoxy-3-phenylbutanamide
CID 144913601

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide?
The IUPAC name of N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide (CID 88608313) is N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide.
What is the SMILES notation for N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide?
The canonical SMILES for N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide is CC(CC(=O)NO)c1ccc(OC(C)c2ccccc2)cc1.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide?
The InChIKey is HLTJKBUEZDPSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3.C6H15N/c1-13(12-18(20)19-21)15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16;1-4-7(5-2)6-3/h3-11,13-14,21H,12H2,1-2H3,(H,19,20);4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide?
N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide has a molecular weight of 400.56 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide is sourced from PubChem (CID 88608313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).