(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide

C20H24N2O3 — CID 100561244

IUPAC(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C
InChIInChI=1S/C20H24N2O3/c1-15-9-7-8-12-18(15)25-14-19(23)22(16(2)20(24)21-3)13-17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyJUTBRXTZDASLJZ-MRXNPFEDSA-N
MW340.42 g/mol
LogP2.54
Rot. Bonds7

About (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide

(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide (PubChem CID 100561244) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
PubChem CID100561244
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C
InChIInChI=1S/C20H24N2O3/c1-15-9-7-8-12-18(15)25-14-19(23)22(16(2)20(24)21-3)13-17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyJUTBRXTZDASLJZ-MRXNPFEDSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 132655551
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
CID 132651116
N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132657455
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568188
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657520
(2R)-2-[benzyl-[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100566003
2-[[2-(2-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132654004
(2R)-2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100566219
N-ethyl-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132655254
(2R)-2-[benzyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100665209
(2R)-2-[(4-bromophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100654834
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132704766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide (CID 100561244) is (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C.
What is the InChIKey of (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide?
The InChIKey is JUTBRXTZDASLJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-9-7-8-12-18(15)25-14-19(23)22(16(2)20(24)21-3)13-17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide?
(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 100561244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).