N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide

C13H20N2O3 — CID 82707355

IUPACN-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(O)c(C(C)NOC)c1
InChIInChI=1S/C13H20N2O3/c1-4-5-13(17)14-10-6-7-12(16)11(8-10)9(2)15-18-3/h6-9,15-16H,4-5H2,1-3H3,(H,14,17)
InChIKeyJZNWCMITCHPYTE-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.34
Rot. Bonds6

About N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide

N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide (PubChem CID 82707355) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide
PubChem CID82707355
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(O)c(C(C)NOC)c1
InChIInChI=1S/C13H20N2O3/c1-4-5-13(17)14-10-6-7-12(16)11(8-10)9(2)15-18-3/h6-9,15-16H,4-5H2,1-3H3,(H,14,17)
InChIKeyJZNWCMITCHPYTE-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide
CID 43824468
2-[1-[5-(butanoylamino)-2-hydroxyphenyl]ethylamino]propanoic acid
CID 61499719
N-[4-hydroxy-3-[1-(pyrrol-1-ylamino)ethyl]phenyl]butanamide
CID 79091683
N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide
CID 104583219
N-(3-formyl-4-hydroxyphenyl)butanamide
CID 174392069
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide?
The IUPAC name of N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide (CID 82707355) is N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide.
What is the SMILES notation for N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide?
The canonical SMILES for N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide is CCCC(=O)Nc1ccc(O)c(C(C)NOC)c1.
What is the InChIKey of N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide?
The InChIKey is JZNWCMITCHPYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-5-13(17)14-10-6-7-12(16)11(8-10)9(2)15-18-3/h6-9,15-16H,4-5H2,1-3H3,(H,14,17).
What are the key properties of N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide?
N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide has a molecular weight of 252.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 82707355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).