2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide

C23H30N2O4 — CID 132660881

IUPAC2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccccc1OCC(=O)N(Cc1ccc(C)cc1)C(C)C(=O)NC(C)C
InChIInChI=1S/C23H30N2O4/c1-16(2)24-23(27)18(4)25(14-19-12-10-17(3)11-13-19)22(26)15-29-21-9-7-6-8-20(21)28-5/h6-13,16,18H,14-15H2,1-5H3,(H,24,27)
InChIKeyUKGDCCBGOBSRQC-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.32
Rot. Bonds9

About 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide

2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132660881) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
PubChem CID132660881
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccccc1OCC(=O)N(Cc1ccc(C)cc1)C(C)C(=O)NC(C)C
InChIInChI=1S/C23H30N2O4/c1-16(2)24-23(27)18(4)25(14-19-12-10-17(3)11-13-19)22(26)15-29-21-9-7-6-8-20(21)28-5/h6-13,16,18H,14-15H2,1-5H3,(H,24,27)
InChIKeyUKGDCCBGOBSRQC-UHFFFAOYSA-N
XLogP3.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657876
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657520
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 100558855
N-butan-2-yl-2-[(4-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 132712223
(2S)-2-[(4-fluorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100690597
(2R)-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523170
2-[[2-(2-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132660540
2-[(4-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propylpropanamide
CID 132665863
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132661240
N-butyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132710933
(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647222
(2S)-2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645001

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 132660881) is 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is COc1ccccc1OCC(=O)N(Cc1ccc(C)cc1)C(C)C(=O)NC(C)C.
What is the InChIKey of 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is UKGDCCBGOBSRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16(2)24-23(27)18(4)25(14-19-12-10-17(3)11-13-19)22(26)15-29-21-9-7-6-8-20(21)28-5/h6-13,16,18H,14-15H2,1-5H3,(H,24,27).
What are the key properties of 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 398.50 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132660881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).