N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide

C24H33N3O2 — CID 8995951

IUPACN-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN[C@@H](c2ccc(CC(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-16(2)14-19-6-8-20(9-7-19)24(17(3)4)25-15-23(29)27-22-12-10-21(11-13-22)26-18(5)28/h6-13,16-17,24-25H,14-15H2,1-5H3,(H,26,28)(H,27,29)/t24-/m1/s1
InChIKeyGBFUDHVJZXFWQN-XMMPIXPASA-N
MW395.55 g/mol
LogP4.77
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide

N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide (PubChem CID 8995951) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
PubChem CID8995951
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN[C@@H](c2ccc(CC(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-16(2)14-19-6-8-20(9-7-19)24(17(3)4)25-15-23(29)27-22-12-10-21(11-13-22)26-18(5)28/h6-13,16-17,24-25H,14-15H2,1-5H3,(H,26,28)(H,27,29)/t24-/m1/s1
InChIKeyGBFUDHVJZXFWQN-XMMPIXPASA-N
XLogP4.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide
CID 8996189
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N,N-dimethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 78817279
4-[[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8992485
4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 8998366
N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide
CID 8995988
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
2-(4-acetamidophenyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 134015095
N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
CID 9132978
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8971255

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide (CID 8995951) is N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide is CC(=O)Nc1ccc(NC(=O)CN[C@@H](c2ccc(CC(C)C)cc2)C(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide?
The InChIKey is GBFUDHVJZXFWQN-XMMPIXPASA-N. The full InChI is InChI=1S/C24H33N3O2/c1-16(2)14-19-6-8-20(9-7-19)24(17(3)4)25-15-23(29)27-22-12-10-21(11-13-22)26-18(5)28/h6-13,16-17,24-25H,14-15H2,1-5H3,(H,26,28)(H,27,29)/t24-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.77, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide is sourced from PubChem (CID 8995951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).