N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide

C18H19N3O — CID 41047179

IUPACN-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@@H](c1ccccc1)N(C)CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O/c1-14(16-8-4-3-5-9-16)21(2)13-18(22)20-17-10-6-7-15(11-17)12-19/h3-11,14H,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyKQULGHSATAYUDA-AWEZNQCLSA-N
MW293.37 g/mol
LogP3.19
Rot. Bonds5

About N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide

N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide (PubChem CID 41047179) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
PubChem CID41047179
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@@H](c1ccccc1)N(C)CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O/c1-14(16-8-4-3-5-9-16)21(2)13-18(22)20-17-10-6-7-15(11-17)12-19/h3-11,14H,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyKQULGHSATAYUDA-AWEZNQCLSA-N
XLogP3.19
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 41176479
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 42946158
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(3-cyanophenyl)acetamide
CID 9047529
N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide
CID 115638357
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide
CID 43824378
2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide
CID 56513370
[2-(3-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227987
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide (CID 41047179) is N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide is C[C@@H](c1ccccc1)N(C)CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide?
The InChIKey is KQULGHSATAYUDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(16-8-4-3-5-9-16)21(2)13-18(22)20-17-10-6-7-15(11-17)12-19/h3-11,14H,13H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide?
N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 41047179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).