(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C22H28N2O3 — CID 100647121

IUPAC(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-16(2)23-22(26)18(4)24(14-19-10-6-5-7-11-19)21(25)15-27-20-12-8-9-17(3)13-20/h5-13,16,18H,14-15H2,1-4H3,(H,23,26)/t18-/m1/s1
InChIKeyBDGXHYLXTBTRKB-GOSISDBHSA-N
MW368.48 g/mol
LogP3.32
Rot. Bonds8

About (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 100647121) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID100647121
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-16(2)23-22(26)18(4)24(14-19-10-6-5-7-11-19)21(25)15-27-20-12-8-9-17(3)13-20/h5-13,16,18H,14-15H2,1-4H3,(H,23,26)/t18-/m1/s1
InChIKeyBDGXHYLXTBTRKB-GOSISDBHSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100655404
(2S)-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100659798
(2R)-2-[(3,4-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100704485
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100540343
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100710877
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657520
2-[(4-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262315
2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132664532
(2S)-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100714038
2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132664110
(2S)-2-[[2-(4-bromophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100660142
(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100660155

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 100647121) is (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1.
What is the InChIKey of (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is BDGXHYLXTBTRKB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)23-22(26)18(4)24(14-19-10-6-5-7-11-19)21(25)15-27-20-12-8-9-17(3)13-20/h5-13,16,18H,14-15H2,1-4H3,(H,23,26)/t18-/m1/s1.
What are the key properties of (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100647121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).