(2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide

C19H24N2O3 — CID 99646106

IUPAC(2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide
SMILESCOc1cccc(OCCNC(=O)[C@H](c2ccccc2)N(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-21(2)18(15-8-5-4-6-9-15)19(22)20-12-13-24-17-11-7-10-16(14-17)23-3/h4-11,14,18H,12-13H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyHPBYBFWKONHGPU-SFHVURJKSA-N
MW328.41 g/mol
LogP2.49
Rot. Bonds8

About (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide

(2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide (PubChem CID 99646106) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide
PubChem CID99646106
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide
SMILESCOc1cccc(OCCNC(=O)[C@H](c2ccccc2)N(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-21(2)18(15-8-5-4-6-9-15)19(22)20-12-13-24-17-11-7-10-16(14-17)23-3/h4-11,14,18H,12-13H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyHPBYBFWKONHGPU-SFHVURJKSA-N
XLogP2.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide
CID 110627301
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
2-[ethyl(methyl)amino]-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111115516
(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509267
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 35646115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide (CID 99646106) is (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide is COc1cccc(OCCNC(=O)[C@H](c2ccccc2)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide?
The InChIKey is HPBYBFWKONHGPU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21(2)18(15-8-5-4-6-9-15)19(22)20-12-13-24-17-11-7-10-16(14-17)23-3/h4-11,14,18H,12-13H2,1-3H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide?
(2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide has a molecular weight of 328.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide is sourced from PubChem (CID 99646106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).