2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide

C16H23N3O2 — CID 60967697

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide
SMILESCCC(C)N(CCOC)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O2/c1-4-13(2)19(9-10-21-3)12-16(20)18-15-8-6-5-7-14(15)11-17/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20)
InChIKeyGPZCULFLPPZNMZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.24
Rot. Bonds8

About 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide

2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide (PubChem CID 60967697) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide
PubChem CID60967697
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide
SMILESCCC(C)N(CCOC)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O2/c1-4-13(2)19(9-10-21-3)12-16(20)18-15-8-6-5-7-14(15)11-17/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20)
InChIKeyGPZCULFLPPZNMZ-UHFFFAOYSA-N
XLogP2.24
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
3-[[2-(2-cyanoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62826763
N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
CID 82938584
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62985534
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
ethyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]acetate
CID 62011415
N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide
CID 29001628
N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 64690595
ethyl 3-(2-cyanoanilino)-3-oxopropanoate
CID 14663489

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide (CID 60967697) is 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide is CCC(C)N(CCOC)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide?
The InChIKey is GPZCULFLPPZNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-13(2)19(9-10-21-3)12-16(20)18-15-8-6-5-7-14(15)11-17/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20).
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide?
2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 60967697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).