2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide

C17H23N3O — CID 47545886

IUPAC2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCC(C#N)CN(C)CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O/c1-14(10-18)11-20(2)12-16(21)19-13-17(8-9-17)15-6-4-3-5-7-15/h3-7,14H,8-9,11-13H2,1-2H3,(H,19,21)
InChIKeyADZHNHTWMYOOIM-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.93
Rot. Bonds7

About 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide

2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 47545886) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID47545886
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCC(C#N)CN(C)CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O/c1-14(10-18)11-20(2)12-16(21)19-13-17(8-9-17)15-6-4-3-5-7-15/h3-7,14H,8-9,11-13H2,1-2H3,(H,19,21)
InChIKeyADZHNHTWMYOOIM-UHFFFAOYSA-N
XLogP1.93
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56818310
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 109398057
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
CID 87034810
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
N-[[4-[(N-cyano-N'-methylcarbamimidoyl)amino]-1-phenylcyclohexyl]methyl]-2-(dimethylamino)acetamide
CID 58842423
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 47545886) is 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide is CC(C#N)CN(C)CC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is ADZHNHTWMYOOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14(10-18)11-20(2)12-16(21)19-13-17(8-9-17)15-6-4-3-5-7-15/h3-7,14H,8-9,11-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 47545886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).