2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide

C20H25ClN2O — CID 18137513

IUPAC2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)C(NCC(=O)NCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O/c1-15(2)20(17-8-10-18(21)11-9-17)23-14-19(24)22-13-12-16-6-4-3-5-7-16/h3-11,15,20,23H,12-14H2,1-2H3,(H,22,24)
InChIKeyBMEKJWHMMAYUHK-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.99
Rot. Bonds8

About 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide

2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide (PubChem CID 18137513) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
PubChem CID18137513
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)C(NCC(=O)NCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O/c1-15(2)20(17-8-10-18(21)11-9-17)23-14-19(24)22-13-12-16-6-4-3-5-7-16/h3-11,15,20,23H,12-14H2,1-2H3,(H,22,24)
InChIKeyBMEKJWHMMAYUHK-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988
N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134154
2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid
CID 47006345
N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133243
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756176
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
CID 41378344
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide (CID 18137513) is 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide is CC(C)C(NCC(=O)NCCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is BMEKJWHMMAYUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-15(2)20(17-8-10-18(21)11-9-17)23-14-19(24)22-13-12-16-6-4-3-5-7-16/h3-11,15,20,23H,12-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide?
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 344.89 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 18137513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).