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

C22H29ClN2O — CID 9307339

IUPAC2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C22H29ClN2O/c1-14(2)17-10-8-11-18(15(3)4)22(17)25-21(26)13-24-16(5)19-9-6-7-12-20(19)23/h6-12,14-16,24H,13H2,1-5H3,(H,25,26)/t16-/m0/s1
InChIKeyLKEXUOHPHKMWEW-INIZCTEOSA-N
MW372.94 g/mol
LogP5.88
Rot. Bonds7

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

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 9307339) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID9307339
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C22H29ClN2O/c1-14(2)17-10-8-11-18(15(3)4)22(17)25-21(26)13-24-16(5)19-9-6-7-12-20(19)23/h6-12,14-16,24H,13H2,1-5H3,(H,25,26)/t16-/m0/s1
InChIKeyLKEXUOHPHKMWEW-INIZCTEOSA-N
XLogP5.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.94
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370539
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18085927

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 9307339) is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1ccccc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is LKEXUOHPHKMWEW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29ClN2O/c1-14(2)17-10-8-11-18(15(3)4)22(17)25-21(26)13-24-16(5)19-9-6-7-12-20(19)23/h6-12,14-16,24H,13H2,1-5H3,(H,25,26)/t16-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 372.94 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 9307339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).