2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide

C16H24N4O — CID 79664547

IUPAC2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1C#N)CC(C)(C)CN
InChIInChI=1S/C16H24N4O/c1-4-20(12-16(2,3)11-18)10-15(21)19-14-8-6-5-7-13(14)9-17/h5-8H,4,10-12,18H2,1-3H3,(H,19,21)
InChIKeyAMWSQZRFSZEACM-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.80
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide (PubChem CID 79664547) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide
PubChem CID79664547
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1C#N)CC(C)(C)CN
InChIInChI=1S/C16H24N4O/c1-4-20(12-16(2,3)11-18)10-15(21)19-14-8-6-5-7-13(14)9-17/h5-8H,4,10-12,18H2,1-3H3,(H,19,21)
InChIKeyAMWSQZRFSZEACM-UHFFFAOYSA-N
XLogP1.80
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371
N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide
CID 79664554
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2,5-dichlorophenyl)acetamide
CID 79664777
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide
CID 65292791
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79665274
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302
3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide
CID 79664559
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79380838
N-(2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962251
ethyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]acetate
CID 62011415
3-[[2-(2-cyanoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62826763

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide (CID 79664547) is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide is CCN(CC(=O)Nc1ccccc1C#N)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide?
The InChIKey is AMWSQZRFSZEACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-20(12-16(2,3)11-18)10-15(21)19-14-8-6-5-7-13(14)9-17/h5-8H,4,10-12,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 79664547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).