N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide

C20H24N2O3 — CID 95181274

IUPACN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C20H24N2O3/c1-4-25-18-13-9-8-12-16(18)19(23)21-17(20(24)22(2)3)14-15-10-6-5-7-11-15/h5-13,17H,4,14H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyDPMYGOHENITILY-KRWDZBQOSA-N
MW340.42 g/mol
LogP2.51
Rot. Bonds7

About N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide

N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide (PubChem CID 95181274) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide
PubChem CID95181274
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C20H24N2O3/c1-4-25-18-13-9-8-12-16(18)19(23)21-17(20(24)22(2)3)14-15-10-6-5-7-11-15/h5-13,17H,4,14H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyDPMYGOHENITILY-KRWDZBQOSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
CID 43877682
ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
CID 43877625
(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid
CID 30120326
(2S)-2-[(2-ethoxybenzoyl)amino]-4-sulfanylbutanoic acid
CID 142708981
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197641
N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]isoquinoline-1-carboxamide
CID 95185467
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
(2R)-2-[(2-ethoxybenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 95066275
2-ethoxybenzoyl bromide
CID 19426336

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide (CID 95181274) is N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide?
The InChIKey is DPMYGOHENITILY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-25-18-13-9-8-12-16(18)19(23)21-17(20(24)22(2)3)14-15-10-6-5-7-11-15/h5-13,17H,4,14H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide?
N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide is sourced from PubChem (CID 95181274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).