N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide

C18H19N3O — CID 41176479

IUPACN-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
SMILESC[C@H](c1ccccc1)N(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H19N3O/c1-14(16-6-4-3-5-7-16)21(2)13-18(22)20-17-10-8-15(12-19)9-11-17/h3-11,14H,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyAOWHGQZWQNRCBR-CQSZACIVSA-N
MW293.37 g/mol
LogP3.19
Rot. Bonds5

About N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide

N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide (PubChem CID 41176479) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
PubChem CID41176479
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
SMILESC[C@H](c1ccccc1)N(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H19N3O/c1-14(16-6-4-3-5-7-16)21(2)13-18(22)20-17-10-8-15(12-19)9-11-17/h3-11,14H,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyAOWHGQZWQNRCBR-CQSZACIVSA-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-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
CID 113159199
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 144587041
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62822509
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide (CID 41176479) is N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide is C[C@H](c1ccccc1)N(C)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide?
The InChIKey is AOWHGQZWQNRCBR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(16-6-4-3-5-7-16)21(2)13-18(22)20-17-10-8-15(12-19)9-11-17/h3-11,14H,13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide?
N-(4-cyanophenyl)-2-[methyl-[(1R)-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-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 41176479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).