(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide

C19H24N2O2 — CID 9274605

IUPAC(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-12-10-17(11-13-18)20-19(22)15(2)21(3)14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyHHBCCZJEPSGQEY-HNNXBMFYSA-N
MW312.41 g/mol
LogP3.54
Rot. Bonds7

About (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide

(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide (PubChem CID 9274605) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
PubChem CID9274605
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-12-10-17(11-13-18)20-19(22)15(2)21(3)14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyHHBCCZJEPSGQEY-HNNXBMFYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46801521
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750477
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
(2R)-2-[benzyl(methyl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356689
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide (CID 9274605) is (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide?
The InChIKey is HHBCCZJEPSGQEY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-23-18-12-10-17(11-13-18)20-19(22)15(2)21(3)14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide?
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 9274605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).