2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide

C21H28N2O2 — CID 56510183

IUPAC2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide
SMILESCCN(C)C(C(=O)N(C)CCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-22(2)20(18-12-7-5-8-13-18)21(24)23(3)16-11-17-25-19-14-9-6-10-15-19/h5-10,12-15,20H,4,11,16-17H2,1-3H3
InChIKeyQAZYJCHRRVIWTR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.61
Rot. Bonds9

About 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide

2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide (PubChem CID 56510183) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide
PubChem CID56510183
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide
SMILESCCN(C)C(C(=O)N(C)CCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-22(2)20(18-12-7-5-8-13-18)21(24)23(3)16-11-17-25-19-14-9-6-10-15-19/h5-10,12-15,20H,4,11,16-17H2,1-3H3
InChIKeyQAZYJCHRRVIWTR-UHFFFAOYSA-N
XLogP3.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
CID 55125595
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[ethyl(methyl)amino]-N-methyl-2-phenylacetamide
CID 56521543
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide
CID 56546435
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
CID 119306189
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
CID 64524057
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide (CID 56510183) is 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide is CCN(C)C(C(=O)N(C)CCCOc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide?
The InChIKey is QAZYJCHRRVIWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-22(2)20(18-12-7-5-8-13-18)21(24)23(3)16-11-17-25-19-14-9-6-10-15-19/h5-10,12-15,20H,4,11,16-17H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide?
2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide has a molecular weight of 340.47 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide is sourced from PubChem (CID 56510183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).