(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide

C21H28N2O2 — CID 8515256

IUPAC(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
SMILESCCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-5-17-7-11-19(12-8-17)22-21(24)16(3)23(4)15-18-9-13-20(14-10-18)25-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeySAFRRBBNEOYCAY-INIZCTEOSA-N
MW340.47 g/mol
LogP4.11
Rot. Bonds8

About (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide

(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide (PubChem CID 8515256) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
PubChem CID8515256
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
SMILESCCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-5-17-7-11-19(12-8-17)22-21(24)16(3)23(4)15-18-9-13-20(14-10-18)25-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeySAFRRBBNEOYCAY-INIZCTEOSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
(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
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750477
4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46801521
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8515292
(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 2504362
(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494910
4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
CID 17424194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide (CID 8515256) is (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide is CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide?
The InChIKey is SAFRRBBNEOYCAY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-17-7-11-19(12-8-17)22-21(24)16(3)23(4)15-18-9-13-20(14-10-18)25-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide?
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 8515256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).