N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide

C15H21N3O2 — CID 80710244

IUPACN-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
SMILESCC(C)OCCN(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2/c1-12(2)20-9-8-18(3)11-15(19)17-14-6-4-13(10-16)5-7-14/h4-7,12H,8-9,11H2,1-3H3,(H,17,19)
InChIKeyIUUFWIZZPWHHGU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.85
Rot. Bonds7

About N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide

N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide (PubChem CID 80710244) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
PubChem CID80710244
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
SMILESCC(C)OCCN(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2/c1-12(2)20-9-8-18(3)11-15(19)17-14-6-4-13(10-16)5-7-14/h4-7,12H,8-9,11H2,1-3H3,(H,17,19)
InChIKeyIUUFWIZZPWHHGU-UHFFFAOYSA-N
XLogP1.85
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81035802
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
CID 78925005
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81058953
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
CID 113159199
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 41176479
N-(4-cyanophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448468

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide (CID 80710244) is N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide is CC(C)OCCN(C)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The InChIKey is IUUFWIZZPWHHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(2)20-9-8-18(3)11-15(19)17-14-6-4-13(10-16)5-7-14/h4-7,12H,8-9,11H2,1-3H3,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide is sourced from PubChem (CID 80710244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).