N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide

C18H27N3O2 — CID 94874080

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide
SMILESCOc1ccccc1[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C
InChIInChI=1S/C18H27N3O2/c1-13(2)18(4,12-19)20-17(22)11-21(5)14(3)15-9-7-8-10-16(15)23-6/h7-10,13-14H,11H2,1-6H3,(H,20,22)/t14-,18+/m1/s1
InChIKeySGTBDEILZYSIGQ-KDOFPFPSSA-N
MW317.43 g/mol
LogP2.74
Rot. Bonds7

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide (PubChem CID 94874080) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide
PubChem CID94874080
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide
SMILESCOc1ccccc1[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C
InChIInChI=1S/C18H27N3O2/c1-13(2)18(4,12-19)20-17(22)11-21(5)14(3)15-9-7-8-10-16(15)23-6/h7-10,13-14H,11H2,1-6H3,(H,20,22)/t14-,18+/m1/s1
InChIKeySGTBDEILZYSIGQ-KDOFPFPSSA-N
XLogP2.74
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide with MolForge

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Related Compounds

[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913145
N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 86931156
N-(2-cyanoethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]-N-methylacetamide
CID 94157322
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42902859
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 78790067
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51728153
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]acetamide
CID 124777042
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2651216

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide (CID 94874080) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide is COc1ccccc1[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide?
The InChIKey is SGTBDEILZYSIGQ-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)18(4,12-19)20-17(22)11-21(5)14(3)15-9-7-8-10-16(15)23-6/h7-10,13-14H,11H2,1-6H3,(H,20,22)/t14-,18+/m1/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetamide is sourced from PubChem (CID 94874080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).