N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

C15H21N3O — CID 43214055

IUPACN-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)N(C)CCC#N)cc1
InChIInChI=1S/C15H21N3O/c1-13-5-7-14(8-6-13)11-17(2)12-15(19)18(3)10-4-9-16/h5-8H,4,10-12H2,1-3H3
InChIKeyDQPACEDTLWABMS-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.80
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide (PubChem CID 43214055) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
PubChem CID43214055
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)N(C)CCC#N)cc1
InChIInChI=1S/C15H21N3O/c1-13-5-7-14(8-6-13)11-17(2)12-15(19)18(3)10-4-9-16/h5-8H,4,10-12H2,1-3H3
InChIKeyDQPACEDTLWABMS-UHFFFAOYSA-N
XLogP1.80
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78896082
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60691148
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696457
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 63821061
N-(2-cyanoethyl)-N-methyl-2-(4-methylphenyl)sulfinylacetamide
CID 64691480
2-[4-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetic acid
CID 105345625
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
N-(2-cyanoethyl)-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 60707481
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanenitrile
CID 43084546

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide (CID 43214055) is N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)N(C)CCC#N)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
The InChIKey is DQPACEDTLWABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13-5-7-14(8-6-13)11-17(2)12-15(19)18(3)10-4-9-16/h5-8H,4,10-12H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide has a molecular weight of 259.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 43214055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).