N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide

C22H25N3O3 — CID 7981594

IUPACN-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCC(C)[C@](C)(C#N)NC(=O)COc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H25N3O3/c1-16(2)22(3,15-23)25-20(26)14-28-19-12-8-7-11-18(19)21(27)24-13-17-9-5-4-6-10-17/h4-12,16H,13-14H2,1-3H3,(H,24,27)(H,25,26)/t22-/m0/s1
InChIKeyVNPYPDSHBDEDIW-QFIPXVFZSA-N
MW379.46 g/mol
LogP3.05
Rot. Bonds8

About N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide

N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide (PubChem CID 7981594) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
PubChem CID7981594
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCC(C)[C@](C)(C#N)NC(=O)COc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H25N3O3/c1-16(2)22(3,15-23)25-20(26)14-28-19-12-8-7-11-18(19)21(27)24-13-17-9-5-4-6-10-17/h4-12,16H,13-14H2,1-3H3,(H,24,27)(H,25,26)/t22-/m0/s1
InChIKeyVNPYPDSHBDEDIW-QFIPXVFZSA-N
XLogP3.05
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide with MolForge

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42902859
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 112774909
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913145
N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7981698
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763278
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919601
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide (CID 7981594) is N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide is CC(C)[C@](C)(C#N)NC(=O)COc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide?
The InChIKey is VNPYPDSHBDEDIW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(2)22(3,15-23)25-20(26)14-28-19-12-8-7-11-18(19)21(27)24-13-17-9-5-4-6-10-17/h4-12,16H,13-14H2,1-3H3,(H,24,27)(H,25,26)/t22-/m0/s1.
What are the key properties of N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide?
N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7981594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).