N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide

C24H34N2O — CID 9131955

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C24H34N2O/c1-16(2)20-13-10-14-21(17(3)4)24(20)26-22(27)15-25-23(18(5)6)19-11-8-7-9-12-19/h7-14,16-18,23,25H,15H2,1-6H3,(H,26,27)/t23-/m0/s1
InChIKeyWDJKBLAIBKMGBO-QHCPKHFHSA-N
MW366.55 g/mol
LogP5.86
Rot. Bonds8

About N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 9131955) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID9131955
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C24H34N2O/c1-16(2)20-13-10-14-21(17(3)4)24(20)26-22(27)15-25-23(18(5)6)19-11-8-7-9-12-19/h7-14,16-18,23,25H,15H2,1-6H3,(H,26,27)/t23-/m0/s1
InChIKeyWDJKBLAIBKMGBO-QHCPKHFHSA-N
XLogP5.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131674
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9133481
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide (CID 9131955) is N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](c1ccccc1)C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is WDJKBLAIBKMGBO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H34N2O/c1-16(2)20-13-10-14-21(17(3)4)24(20)26-22(27)15-25-23(18(5)6)19-11-8-7-9-12-19/h7-14,16-18,23,25H,15H2,1-6H3,(H,26,27)/t23-/m0/s1.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 366.55 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 9131955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).