2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide

C22H40N2O — CID 170379340

IUPAC2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide
SMILESC=C(NC1CCC(CC2CCC(NC(=O)C(C)C)CC2)CC1)C(C)C
InChIInChI=1S/C22H40N2O/c1-15(2)17(5)23-20-10-6-18(7-11-20)14-19-8-12-21(13-9-19)24-22(25)16(3)4/h15-16,18-21,23H,5-14H2,1-4H3,(H,24,25)
InChIKeyJRULJSULGLNYOI-UHFFFAOYSA-N
MW348.58 g/mol
LogP5.03
Rot. Bonds7

About 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide

2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide (PubChem CID 170379340) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide
PubChem CID170379340
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Name2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide
SMILESC=C(NC1CCC(CC2CCC(NC(=O)C(C)C)CC2)CC1)C(C)C
InChIInChI=1S/C22H40N2O/c1-15(2)17(5)23-20-10-6-18(7-11-20)14-19-8-12-21(13-9-19)24-22(25)16(3)4/h15-16,18-21,23H,5-14H2,1-4H3,(H,24,25)
InChIKeyJRULJSULGLNYOI-UHFFFAOYSA-N
XLogP5.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.58
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide (CID 170379340) is 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide is C=C(NC1CCC(CC2CCC(NC(=O)C(C)C)CC2)CC1)C(C)C.
What is the InChIKey of 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide?
The InChIKey is JRULJSULGLNYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-15(2)17(5)23-20-10-6-18(7-11-20)14-19-8-12-21(13-9-19)24-22(25)16(3)4/h15-16,18-21,23H,5-14H2,1-4H3,(H,24,25).
What are the key properties of 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide?
2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide has a molecular weight of 348.58 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide is sourced from PubChem (CID 170379340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).