N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide

C17H26N2O2 — CID 104583219

IUPACN-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide
SMILESC=CCC(C)NC(C)c1cc(NC(=O)CCC)ccc1O
InChIInChI=1S/C17H26N2O2/c1-5-7-12(3)18-13(4)15-11-14(9-10-16(15)20)19-17(21)8-6-2/h5,9-13,18,20H,1,6-8H2,2-4H3,(H,19,21)
InChIKeyPJFHEJFLKOQYGZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.75
Rot. Bonds8

About N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide

N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide (PubChem CID 104583219) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide
PubChem CID104583219
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide
SMILESC=CCC(C)NC(C)c1cc(NC(=O)CCC)ccc1O
InChIInChI=1S/C17H26N2O2/c1-5-7-12(3)18-13(4)15-11-14(9-10-16(15)20)19-17(21)8-6-2/h5,9-13,18,20H,1,6-8H2,2-4H3,(H,19,21)
InChIKeyPJFHEJFLKOQYGZ-UHFFFAOYSA-N
XLogP3.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[5-(butanoylamino)-2-hydroxyphenyl]ethylamino]propanoic acid
CID 61499719
N-[4-hydroxy-3-[1-(methoxyamino)ethyl]phenyl]butanamide
CID 82707355
N-[4-hydroxy-3-[1-(pyrrol-1-ylamino)ethyl]phenyl]butanamide
CID 79091683
N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide
CID 43824468
N-(3-formyl-4-hydroxyphenyl)butanamide
CID 174392069
N-(3-butyl-4-hydroxyphenyl)tetradecanamide
CID 142641305
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-[2-(4-hydroxy-3-propan-2-ylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 154801047
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide?
The IUPAC name of N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide (CID 104583219) is N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide.
What is the SMILES notation for N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide?
The canonical SMILES for N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide is C=CCC(C)NC(C)c1cc(NC(=O)CCC)ccc1O.
What is the InChIKey of N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide?
The InChIKey is PJFHEJFLKOQYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-7-12(3)18-13(4)15-11-14(9-10-16(15)20)19-17(21)8-6-2/h5,9-13,18,20H,1,6-8H2,2-4H3,(H,19,21).
What are the key properties of N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide?
N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide has a molecular weight of 290.41 g/mol, XLogP of 3.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-[1-(pent-4-en-2-ylamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 104583219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).