4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide

C16H24N2O3 — CID 119524189

IUPAC4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)NC(C)(C)CN)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)13-6-4-7-14(10-13)21-9-5-8-15(20)18-16(2,3)11-17/h4,6-7,10H,5,8-9,11,17H2,1-3H3,(H,18,20)
InChIKeyUEGZBKPILNFCNM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.90
Rot. Bonds8

About 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide

4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide (PubChem CID 119524189) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
PubChem CID119524189
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)NC(C)(C)CN)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)13-6-4-7-14(10-13)21-9-5-8-15(20)18-16(2,3)11-17/h4,6-7,10H,5,8-9,11,17H2,1-3H3,(H,18,20)
InChIKeyUEGZBKPILNFCNM-UHFFFAOYSA-N
XLogP1.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
CID 119524592
2-[4-(3-acetylphenoxy)butanoylamino]propanoic acid
CID 119225405
4-(3-acetylphenoxy)-N-propan-2-ylsulfonylbutanamide
CID 48910823
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
3-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 63891368
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
CID 119605954
N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 119522166

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide?
The IUPAC name of 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide (CID 119524189) is 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide?
The canonical SMILES for 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide is CC(=O)c1cccc(OCCCC(=O)NC(C)(C)CN)c1.
What is the InChIKey of 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide?
The InChIKey is UEGZBKPILNFCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)13-6-4-7-14(10-13)21-9-5-8-15(20)18-16(2,3)11-17/h4,6-7,10H,5,8-9,11,17H2,1-3H3,(H,18,20).
What are the key properties of 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide?
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide is sourced from PubChem (CID 119524189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).