N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide

C19H30N2O3 — CID 4595109

IUPACN-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide
SMILESCOC(CN(C)C(C(=O)NC1CCCCC1)c1ccccc1)OC
InChIInChI=1S/C19H30N2O3/c1-21(14-17(23-2)24-3)18(15-10-6-4-7-11-15)19(22)20-16-12-8-5-9-13-16/h4,6-7,10-11,16-18H,5,8-9,12-14H2,1-3H3,(H,20,22)
InChIKeyCZECHQKILUCHGV-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.73
Rot. Bonds8

About N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide

N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide (PubChem CID 4595109) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide
PubChem CID4595109
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide
SMILESCOC(CN(C)C(C(=O)NC1CCCCC1)c1ccccc1)OC
InChIInChI=1S/C19H30N2O3/c1-21(14-17(23-2)24-3)18(15-10-6-4-7-11-15)19(22)20-16-12-8-5-9-13-16/h4,6-7,10-11,16-18H,5,8-9,12-14H2,1-3H3,(H,20,22)
InChIKeyCZECHQKILUCHGV-UHFFFAOYSA-N
XLogP2.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide (CID 4595109) is N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide is COC(CN(C)C(C(=O)NC1CCCCC1)c1ccccc1)OC.
What is the InChIKey of N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide?
The InChIKey is CZECHQKILUCHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-21(14-17(23-2)24-3)18(15-10-6-4-7-11-15)19(22)20-16-12-8-5-9-13-16/h4,6-7,10-11,16-18H,5,8-9,12-14H2,1-3H3,(H,20,22).
What are the key properties of N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide?
N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide has a molecular weight of 334.46 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2,2-dimethoxyethyl(methyl)amino]-2-phenylacetamide is sourced from PubChem (CID 4595109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).