N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide

C15H31N3O2 — CID 79122493

IUPACN-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
SMILESCCCNC1CCC(N(C)CC(=O)NCCOC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-9-16-13-5-7-14(8-6-13)18(2)12-15(19)17-10-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyVQNASLFYJXPYLE-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.99
Rot. Bonds9

About N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide

N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide (PubChem CID 79122493) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
PubChem CID79122493
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
SMILESCCCNC1CCC(N(C)CC(=O)NCCOC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-9-16-13-5-7-14(8-6-13)18(2)12-15(19)17-10-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyVQNASLFYJXPYLE-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide (CID 79122493) is N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide is CCCNC1CCC(N(C)CC(=O)NCCOC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide?
The InChIKey is VQNASLFYJXPYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-9-16-13-5-7-14(8-6-13)18(2)12-15(19)17-10-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide?
N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide is sourced from PubChem (CID 79122493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).