N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide

C23H29N3O3 — CID 46402737

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C23H29N3O3/c1-16(19-9-10-19)26(14-18-7-5-4-6-8-18)15-23(28)25-21-13-20(24-17(2)27)11-12-22(21)29-3/h4-8,11-13,16,19H,9-10,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyZKQYPYPVUGVXLH-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.89
Rot. Bonds9

About N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide (PubChem CID 46402737) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
PubChem CID46402737
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C23H29N3O3/c1-16(19-9-10-19)26(14-18-7-5-4-6-8-18)15-23(28)25-21-13-20(24-17(2)27)11-12-22(21)29-3/h4-8,11-13,16,19H,9-10,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyZKQYPYPVUGVXLH-UHFFFAOYSA-N
XLogP3.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
CID 31996146
2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 24582098
2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 46444247
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 56542784
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 31996292
2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 8844622
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide (CID 46402737) is N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CN(Cc1ccccc1)C(C)C1CC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide?
The InChIKey is ZKQYPYPVUGVXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(19-9-10-19)26(14-18-7-5-4-6-8-18)15-23(28)25-21-13-20(24-17(2)27)11-12-22(21)29-3/h4-8,11-13,16,19H,9-10,14-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide is sourced from PubChem (CID 46402737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).