N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide

C22H27N3O — CID 8922928

IUPACN-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
SMILESCC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2C#N)C(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-15(2)17-9-11-18(12-10-17)22(16(3)4)24-14-21(26)25-20-8-6-5-7-19(20)13-23/h5-12,15-16,22,24H,14H2,1-4H3,(H,25,26)/t22-/m0/s1
InChIKeyUVOZQFVERRMUDL-QFIPXVFZSA-N
MW349.48 g/mol
LogP4.61
Rot. Bonds7

About N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide

N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide (PubChem CID 8922928) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
PubChem CID8922928
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
SMILESCC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2C#N)C(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-15(2)17-9-11-18(12-10-17)22(16(3)4)24-14-21(26)25-20-8-6-5-7-19(20)13-23/h5-12,15-16,22,24H,14H2,1-4H3,(H,25,26)/t22-/m0/s1
InChIKeyUVOZQFVERRMUDL-QFIPXVFZSA-N
XLogP4.61
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133316
N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131592
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392611
N-(2-chloro-3-pyridinyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923068
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
CID 41378344
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028520
N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923589
N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086016
3-(4-aminophenyl)-N-(2-cyanophenyl)butanamide
CID 104502015

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide (CID 8922928) is N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide is CC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2C#N)C(C)C)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide?
The InChIKey is UVOZQFVERRMUDL-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N3O/c1-15(2)17-9-11-18(12-10-17)22(16(3)4)24-14-21(26)25-20-8-6-5-7-19(20)13-23/h5-12,15-16,22,24H,14H2,1-4H3,(H,25,26)/t22-/m0/s1.
What are the key properties of N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide?
N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide has a molecular weight of 349.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide is sourced from PubChem (CID 8922928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).