2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide

C20H25ClN2O — CID 9330816

IUPAC2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O/c1-4-15-8-6-9-16(5-2)20(15)23-19(24)13-22-14(3)17-10-7-11-18(21)12-17/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,24)/t14-/m0/s1
InChIKeyMZIOTRKVPXUZLD-AWEZNQCLSA-N
MW344.89 g/mol
LogP4.75
Rot. Bonds7

About 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide (PubChem CID 9330816) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
PubChem CID9330816
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O/c1-4-15-8-6-9-16(5-2)20(15)23-19(24)13-22-14(3)17-10-7-11-18(21)12-17/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,24)/t14-/m0/s1
InChIKeyMZIOTRKVPXUZLD-AWEZNQCLSA-N
XLogP4.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9307551
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 81371630
N-(2-acetylphenyl)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331826
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 9307643
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
2-(benzhydrylamino)-N-(2,6-diethylphenyl)acetamide
CID 2620925
N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131674

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide (CID 9330816) is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CN[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is MZIOTRKVPXUZLD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-4-15-8-6-9-16(5-2)20(15)23-19(24)13-22-14(3)17-10-7-11-18(21)12-17/h6-12,14,22H,4-5,13H2,1-3H3,(H,23,24)/t14-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide?
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 344.89 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 9330816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).