(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide

C19H24N2O3 — CID 97019377

IUPAC(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
SMILESCOc1ccc(OCCN[C@@H](C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-15(14-19(22)21-16-6-4-3-5-7-16)20-12-13-24-18-10-8-17(23-2)9-11-18/h3-11,15,20H,12-14H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyHMQBOSDKFXEMQI-HNNXBMFYSA-N
MW328.41 g/mol
LogP3.08
Rot. Bonds9

About (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide

(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide (PubChem CID 97019377) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide.

Molecular Properties

Compound Name(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
PubChem CID97019377
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
SMILESCOc1ccc(OCCN[C@@H](C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-15(14-19(22)21-16-6-4-3-5-7-16)20-12-13-24-18-10-8-17(23-2)9-11-18/h3-11,15,20H,12-14H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyHMQBOSDKFXEMQI-HNNXBMFYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.08
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

(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide
CID 111755628
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 119163983
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide?
The IUPAC name of (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide (CID 97019377) is (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide.
What is the SMILES notation for (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide?
The canonical SMILES for (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide is COc1ccc(OCCN[C@@H](C)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide?
The InChIKey is HMQBOSDKFXEMQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15(14-19(22)21-16-6-4-3-5-7-16)20-12-13-24-18-10-8-17(23-2)9-11-18/h3-11,15,20H,12-14H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide?
(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide has a molecular weight of 328.41 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide is sourced from PubChem (CID 97019377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).