N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide

C19H25N3O2 — CID 167765349

IUPACN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)CC1(C#N)CCCCC1
InChIInChI=1S/C19H25N3O2/c1-22(14-16-8-4-2-5-9-16)18(24)13-21-17(23)12-19(15-20)10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,21,23)
InChIKeyTZUFBKLEHOWZJL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.63
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide (PubChem CID 167765349) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide
PubChem CID167765349
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)CC1(C#N)CCCCC1
InChIInChI=1S/C19H25N3O2/c1-22(14-16-8-4-2-5-9-16)18(24)13-21-17(23)12-19(15-20)10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,21,23)
InChIKeyTZUFBKLEHOWZJL-UHFFFAOYSA-N
XLogP2.63
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119287101
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420
N-[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 47173784
1-N,2-N-bis[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopropane-1,2-dicarboxamide
CID 166187022
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(2-bromophenyl)acetamide
CID 112992422
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide (CID 167765349) is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide is CN(Cc1ccccc1)C(=O)CNC(=O)CC1(C#N)CCCCC1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide?
The InChIKey is TZUFBKLEHOWZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(14-16-8-4-2-5-9-16)18(24)13-21-17(23)12-19(15-20)10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,21,23).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide?
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 167765349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).