N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide

C24H33N3O3 — CID 8971255

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
SMILESCCCc1ccc([C@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1
InChIInChI=1S/C24H33N3O3/c1-6-7-18-8-10-19(11-9-18)24(16(2)3)25-15-23(29)27-21-14-20(26-17(4)28)12-13-22(21)30-5/h8-14,16,24-25H,6-7,15H2,1-5H3,(H,26,28)(H,27,29)/t24-/m1/s1
InChIKeyYPJHADHEUQHGDB-XMMPIXPASA-N
MW411.55 g/mol
LogP4.53
Rot. Bonds10

About N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide (PubChem CID 8971255) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
PubChem CID8971255
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
SMILESCCCc1ccc([C@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1
InChIInChI=1S/C24H33N3O3/c1-6-7-18-8-10-19(11-9-18)24(16(2)3)25-15-23(29)27-21-14-20(26-17(4)28)12-13-22(21)30-5/h8-14,16,24-25H,6-7,15H2,1-5H3,(H,26,28)(H,27,29)/t24-/m1/s1
InChIKeyYPJHADHEUQHGDB-XMMPIXPASA-N
XLogP4.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide
CID 8834661
N-(5-acetamido-2-methoxyphenyl)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetamide
CID 9129845
N-(2,5-dimethoxyphenyl)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991941
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 41291640
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
N-(5-acetamido-2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8641820
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8971206
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 8599537
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970456

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide (CID 8971255) is N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide is CCCc1ccc([C@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The InChIKey is YPJHADHEUQHGDB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H33N3O3/c1-6-7-18-8-10-19(11-9-18)24(16(2)3)25-15-23(29)27-21-14-20(26-17(4)28)12-13-22(21)30-5/h8-14,16,24-25H,6-7,15H2,1-5H3,(H,26,28)(H,27,29)/t24-/m1/s1.
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide has a molecular weight of 411.55 g/mol, XLogP of 4.53, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide is sourced from PubChem (CID 8971255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).