N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide

C24H42N4O2 — CID 166189099

IUPACN-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide
SMILESCN(CC#CCN(C)CC(=O)N(C)C1CCCCC1)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C24H42N4O2/c1-25(19-23(29)27(3)21-13-7-5-8-14-21)17-11-12-18-26(2)20-24(30)28(4)22-15-9-6-10-16-22/h21-22H,5-10,13-20H2,1-4H3
InChIKeyUOKUITLUESZKBK-UHFFFAOYSA-N
MW418.63 g/mol
LogP2.44
Rot. Bonds8

About N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide

N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide (PubChem CID 166189099) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide
PubChem CID166189099
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC NameN-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide
SMILESCN(CC#CCN(C)CC(=O)N(C)C1CCCCC1)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C24H42N4O2/c1-25(19-23(29)27(3)21-13-7-5-8-14-21)17-11-12-18-26(2)20-24(30)28(4)22-15-9-6-10-16-22/h21-22H,5-10,13-20H2,1-4H3
InChIKeyUOKUITLUESZKBK-UHFFFAOYSA-N
XLogP2.44
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 115749267
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964383
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
3-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873292
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
2-[cyclobutyl(3-hydroxypropyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102848635
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
CID 86976959

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide (CID 166189099) is N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide is CN(CC#CCN(C)CC(=O)N(C)C1CCCCC1)CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide?
The InChIKey is UOKUITLUESZKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O2/c1-25(19-23(29)27(3)21-13-7-5-8-14-21)17-11-12-18-26(2)20-24(30)28(4)22-15-9-6-10-16-22/h21-22H,5-10,13-20H2,1-4H3.
What are the key properties of N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide?
N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide has a molecular weight of 418.63 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 166189099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).