4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

C17H26N2O3 — CID 120654445

IUPAC4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1cccc(C(C)=O)c1
InChIInChI=1S/C17H26N2O3/c1-4-18-13(2)12-19-17(21)9-6-10-22-16-8-5-7-15(11-16)14(3)20/h5,7-8,11,13,18H,4,6,9-10,12H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyAETGLFSANJMBPJ-CYBMUJFWSA-N
MW306.41 g/mol
LogP2.16
Rot. Bonds10

About 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (PubChem CID 120654445) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
PubChem CID120654445
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1cccc(C(C)=O)c1
InChIInChI=1S/C17H26N2O3/c1-4-18-13(2)12-19-17(21)9-6-10-22-16-8-5-7-15(11-16)14(3)20/h5,7-8,11,13,18H,4,6,9-10,12H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyAETGLFSANJMBPJ-CYBMUJFWSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.16
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

4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
2-[4-(3-acetylphenoxy)butanoylamino]propanoic acid
CID 119225405
4-(3-acetylphenoxy)-N-propan-2-ylsulfonylbutanamide
CID 48910823
(2S,3S)-2-[4-(3-acetylphenoxy)butanoylamino]-3-methylpentanoic acid
CID 119194094
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622
2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828020
4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653975
(2R)-2-[4-(3-acetylphenoxy)butanoylamino]-4-methylpentanoic acid
CID 119364270
3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654017
4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide
CID 51099911

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The IUPAC name of 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (CID 120654445) is 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The canonical SMILES for 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is CCN[C@H](C)CNC(=O)CCCOc1cccc(C(C)=O)c1.
What is the InChIKey of 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The InChIKey is AETGLFSANJMBPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-18-13(2)12-19-17(21)9-6-10-22-16-8-5-7-15(11-16)14(3)20/h5,7-8,11,13,18H,4,6,9-10,12H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is sourced from PubChem (CID 120654445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).