2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide

C22H33N3O2 — CID 75445714

IUPAC2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCOCC(C)(C)N(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1
InChIInChI=1S/C22H33N3O2/c1-21(2,18-27-4)25(15-19-11-7-5-8-12-19)16-20(26)24(3)22(17-23)13-9-6-10-14-22/h5,7-8,11-12H,6,9-10,13-16,18H2,1-4H3
InChIKeyKXTYQFOANFOPGF-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.60
Rot. Bonds8

About 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide

2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 75445714) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID75445714
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCOCC(C)(C)N(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1
InChIInChI=1S/C22H33N3O2/c1-21(2,18-27-4)25(15-19-11-7-5-8-12-19)16-20(26)24(3)22(17-23)13-9-6-10-14-22/h5,7-8,11-12H,6,9-10,13-16,18H2,1-4H3
InChIKeyKXTYQFOANFOPGF-UHFFFAOYSA-N
XLogP3.60
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110025058
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N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide
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N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
CID 32899810
N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide
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[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
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1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
CID 71444781
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329399
N-benzyl-2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]benzamide
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[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 9248524
benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium
CID 9494211
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7861010

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 75445714) is 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide is COCC(C)(C)N(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is KXTYQFOANFOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-21(2,18-27-4)25(15-19-11-7-5-8-12-19)16-20(26)24(3)22(17-23)13-9-6-10-14-22/h5,7-8,11-12H,6,9-10,13-16,18H2,1-4H3.
What are the key properties of 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 371.53 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 75445714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).