2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide

C18H25N3O — CID 87016437

IUPAC2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN(C)Cc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C18H25N3O/c1-14(2)11-21(17-8-9-17)18(22)13-20(3)12-16-6-4-15(10-19)5-7-16/h4-7,14,17H,8-9,11-13H2,1-3H3
InChIKeyMKVOVXSRZCQIIB-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.64
Rot. Bonds7

About 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide

2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide (PubChem CID 87016437) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide
PubChem CID87016437
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN(C)Cc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C18H25N3O/c1-14(2)11-21(17-8-9-17)18(22)13-20(3)12-16-6-4-15(10-19)5-7-16/h4-7,14,17H,8-9,11-13H2,1-3H3
InChIKeyMKVOVXSRZCQIIB-UHFFFAOYSA-N
XLogP2.64
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78990662
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942559
3-[(4-cyanophenyl)methyl-cyclopentylamino]-2-methylpropanoic acid
CID 82330003
4-[[methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]methyl]benzonitrile
CID 94104022
N-cyclopropyl-2-[methyl-(4-methylcyclohexyl)amino]-N-(2-methylpropyl)acetamide
CID 78896010
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
CID 87016434
4-[[cyclopentyl(3-methylbutyl)amino]methyl]benzonitrile
CID 78983163
N-[(4-bromothiophen-2-yl)methyl]-2-[(4-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 87016445
4-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]benzonitrile
CID 78974112
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzonitrile
CID 55149643
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide (CID 87016437) is 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CN(C)Cc1ccc(C#N)cc1)C1CC1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The InChIKey is MKVOVXSRZCQIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(2)11-21(17-8-9-17)18(22)13-20(3)12-16-6-4-15(10-19)5-7-16/h4-7,14,17H,8-9,11-13H2,1-3H3.
What are the key properties of 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide?
2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide has a molecular weight of 299.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 87016437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).