azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide

C18H25N2O3+ — CID 19868724

IUPACazanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
SMILESCC(CC(=O)NO)c1ccc(OC(C)c2ccccc2)cc1.[NH4+]
InChIInChI=1S/C18H21NO3.H3N/c1-13(12-18(20)19-21)15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16;/h3-11,13-14,21H,12H2,1-2H3,(H,19,20);1H3/p+1
InChIKeyFLRLBGVVVKHJBZ-UHFFFAOYSA-O
MW317.41 g/mol
LogP4.20
Rot. Bonds6

About azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide

azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide (PubChem CID 19868724) has the molecular formula C18H25N2O3+ and a molecular weight of 317.41 g/mol. Its IUPAC name is azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide.

Molecular Properties

Compound Nameazanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
PubChem CID19868724
Molecular FormulaC18H25N2O3+
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Nameazanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
SMILESCC(CC(=O)NO)c1ccc(OC(C)c2ccccc2)cc1.[NH4+]
InChIInChI=1S/C18H21NO3.H3N/c1-13(12-18(20)19-21)15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16;/h3-11,13-14,21H,12H2,1-2H3,(H,19,20);1H3/p+1
InChIKeyFLRLBGVVVKHJBZ-UHFFFAOYSA-O
XLogP4.20
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N,N-diethylethanamine;N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
CID 88608313
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
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]ethanone
CID 19828168
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide
CID 88651998
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344

Frequently Asked Questions

What is the IUPAC name of azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide?
The IUPAC name of azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide (CID 19868724) is azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide.
What is the SMILES notation for azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide?
The canonical SMILES for azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide is CC(CC(=O)NO)c1ccc(OC(C)c2ccccc2)cc1.[NH4+].
What is the InChIKey of azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide?
The InChIKey is FLRLBGVVVKHJBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21NO3.H3N/c1-13(12-18(20)19-21)15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16;/h3-11,13-14,21H,12H2,1-2H3,(H,19,20);1H3/p+1.
What are the key properties of azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide?
azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide has a molecular weight of 317.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide is sourced from PubChem (CID 19868724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).