(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

C21H28N2O2 — CID 9494913

IUPAC(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C21H28N2O2/c1-6-25-19-12-10-18(11-13-19)14-23(5)17(4)21(24)22-20-15(2)8-7-9-16(20)3/h7-13,17H,6,14H2,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyPOJHXJSZSWXGEI-KRWDZBQOSA-N
MW340.47 g/mol
LogP4.16
Rot. Bonds7

About (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 9494913) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
PubChem CID9494913
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C21H28N2O2/c1-6-25-19-12-10-18(11-13-19)14-23(5)17(4)21(24)22-20-15(2)8-7-9-16(20)3/h7-13,17H,6,14H2,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyPOJHXJSZSWXGEI-KRWDZBQOSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9037230
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494910
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 9038911
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide
CID 119042157
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
N-(2,6-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 8695010

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (CID 9494913) is (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is POJHXJSZSWXGEI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-6-25-19-12-10-18(11-13-19)14-23(5)17(4)21(24)22-20-15(2)8-7-9-16(20)3/h7-13,17H,6,14H2,1-5H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 9494913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).