2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C23H30N2O5 — CID 132664532

IUPAC2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1cc(OC)cc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C23H30N2O5/c1-16(2)24-23(27)17(3)25(14-18-9-7-6-8-10-18)22(26)15-30-21-12-19(28-4)11-20(13-21)29-5/h6-13,16-17H,14-15H2,1-5H3,(H,24,27)
InChIKeyZVWJXIOJAVUXPA-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.02
Rot. Bonds10

About 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132664532) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID132664532
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1cc(OC)cc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C23H30N2O5/c1-16(2)24-23(27)17(3)25(14-18-9-7-6-8-10-18)22(26)15-30-21-12-19(28-4)11-20(13-21)29-5/h6-13,16-17H,14-15H2,1-5H3,(H,24,27)
InChIKeyZVWJXIOJAVUXPA-UHFFFAOYSA-N
XLogP3.02
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 100732243
2-[[2-(3,5-dimethoxyphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132668377
(2S)-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100715965
2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132710924
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132674608
2-[benzyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657876
(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647121
(2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645348
(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-(3,4-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100718994
(2R)-2-[(3-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100655404

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 132664532) is 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is ZVWJXIOJAVUXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-16(2)24-23(27)17(3)25(14-18-9-7-6-8-10-18)22(26)15-30-21-12-19(28-4)11-20(13-21)29-5/h6-13,16-17H,14-15H2,1-5H3,(H,24,27).
What are the key properties of 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 414.50 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132664532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).