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

C18H28N2O3 — CID 119605954

IUPAC4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)18(4,12-19)20-17(22)6-5-11-23-16-9-7-15(8-10-16)14(3)21/h7-10,13H,5-6,11-12,19H2,1-4H3,(H,20,22)
InChIKeyCDLYDULKLSIKPE-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.54
Rot. Bonds9

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

4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide (PubChem CID 119605954) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
PubChem CID119605954
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)18(4,12-19)20-17(22)6-5-11-23-16-9-7-15(8-10-16)14(3)21/h7-10,13H,5-6,11-12,19H2,1-4H3,(H,20,22)
InChIKeyCDLYDULKLSIKPE-UHFFFAOYSA-N
XLogP2.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.54
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-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
CID 119605778
4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
CID 119569106
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
CID 119605619
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119608481
3-[4-(4-acetylphenoxy)butanoylamino]-2-methylpropanoic acid
CID 119236840
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189
N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
CID 119524592
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 112762986

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide (CID 119605954) is 4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide is CC(=O)c1ccc(OCCCC(=O)NC(C)(CN)C(C)C)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide?
The InChIKey is CDLYDULKLSIKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)18(4,12-19)20-17(22)6-5-11-23-16-9-7-15(8-10-16)14(3)21/h7-10,13H,5-6,11-12,19H2,1-4H3,(H,20,22).
What are the key properties of 4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide?
4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide has a molecular weight of 320.43 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide is sourced from PubChem (CID 119605954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).