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

C17H28N2O2 — CID 43824468

IUPACN-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(O)c(C(C)NC(C)(C)CC)c1
InChIInChI=1S/C17H28N2O2/c1-6-8-16(21)18-13-9-10-15(20)14(11-13)12(3)19-17(4,5)7-2/h9-12,19-20H,6-8H2,1-5H3,(H,18,21)
InChIKeyQAVBXOXTSHWCLG-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.97
Rot. Bonds7

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

N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide (PubChem CID 43824468) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide
PubChem CID43824468
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(O)c(C(C)NC(C)(C)CC)c1
InChIInChI=1S/C17H28N2O2/c1-6-8-16(21)18-13-9-10-15(20)14(11-13)12(3)19-17(4,5)7-2/h9-12,19-20H,6-8H2,1-5H3,(H,18,21)
InChIKeyQAVBXOXTSHWCLG-UHFFFAOYSA-N
XLogP3.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.97
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'}

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Related Compounds

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CID 82707355
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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
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N-[4-(butanoylamino)phenyl]butanamide;ethane
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N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134
N-(3-tert-butyl-4-hydroxyphenyl)nonanamide
CID 21290138
2-[1-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43731188
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
N-(4-formylphenyl)butanamide
CID 14471017

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide?
The IUPAC name of N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide (CID 43824468) is N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide.
What is the SMILES notation for N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide?
The canonical SMILES for N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide is CCCC(=O)Nc1ccc(O)c(C(C)NC(C)(C)CC)c1.
What is the InChIKey of N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide?
The InChIKey is QAVBXOXTSHWCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-8-16(21)18-13-9-10-15(20)14(11-13)12(3)19-17(4,5)7-2/h9-12,19-20H,6-8H2,1-5H3,(H,18,21).
What are the key properties of N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide?
N-[4-hydroxy-3-[1-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide has a molecular weight of 292.42 g/mol, XLogP of 3.97, 7 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-(2-methylbutan-2-ylamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 43824468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).