N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide

C20H25N3O2 — CID 9131833

IUPACN-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN[C@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)20(16-7-5-4-6-8-16)21-13-19(25)23-18-11-9-17(10-12-18)22-15(3)24/h4-12,14,20-21H,13H2,1-3H3,(H,22,24)(H,23,25)/t20-/m0/s1
InChIKeyIZEDOIMWNJNKQC-FQEVSTJZSA-N
MW339.44 g/mol
LogP3.57
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide

N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 9131833) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID9131833
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN[C@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)20(16-7-5-4-6-8-16)21-13-19(25)23-18-11-9-17(10-12-18)22-15(3)24/h4-12,14,20-21H,13H2,1-3H3,(H,22,24)(H,23,25)/t20-/m0/s1
InChIKeyIZEDOIMWNJNKQC-FQEVSTJZSA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
CID 9132978
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
N'-acetyl-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetohydrazide
CID 9132759
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 9133103
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131674
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide (CID 9131833) is N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide is CC(=O)Nc1ccc(NC(=O)CN[C@H](c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is IZEDOIMWNJNKQC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)20(16-7-5-4-6-8-16)21-13-19(25)23-18-11-9-17(10-12-18)22-15(3)24/h4-12,14,20-21H,13H2,1-3H3,(H,22,24)(H,23,25)/t20-/m0/s1.
What are the key properties of N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 9131833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).