N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide

C20H37NO3 — CID 164604144

IUPACN-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide
SMILESCC(=O)NC(COCC1CCCCC1)C(C)OCC1CCCCC1
InChIInChI=1S/C20H37NO3/c1-16(24-14-19-11-7-4-8-12-19)20(21-17(2)22)15-23-13-18-9-5-3-6-10-18/h16,18-20H,3-15H2,1-2H3,(H,21,22)
InChIKeyYLSJLEUNDYIONE-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.07
Rot. Bonds9

About N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide

N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide (PubChem CID 164604144) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide
PubChem CID164604144
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC NameN-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide
SMILESCC(=O)NC(COCC1CCCCC1)C(C)OCC1CCCCC1
InChIInChI=1S/C20H37NO3/c1-16(24-14-19-11-7-4-8-12-19)20(21-17(2)22)15-23-13-18-9-5-3-6-10-18/h16,18-20H,3-15H2,1-2H3,(H,21,22)
InChIKeyYLSJLEUNDYIONE-UHFFFAOYSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclohexylmethoxy)-1-piperidin-3-yloxybutan-2-yl]acetamide;ethane
CID 170758808
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170758965
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
2-(cyclopentylmethoxy)propanehydrazide
CID 66321450
2-acetamido-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164604698
methyl (2S)-2-acetyloxy-2-(cyclohexylmethoxy)acetate
CID 101037730
methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
CID 114282489

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide?
The IUPAC name of N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide (CID 164604144) is N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide.
What is the SMILES notation for N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide?
The canonical SMILES for N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide is CC(=O)NC(COCC1CCCCC1)C(C)OCC1CCCCC1.
What is the InChIKey of N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide?
The InChIKey is YLSJLEUNDYIONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-16(24-14-19-11-7-4-8-12-19)20(21-17(2)22)15-23-13-18-9-5-3-6-10-18/h16,18-20H,3-15H2,1-2H3,(H,21,22).
What are the key properties of N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide?
N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide has a molecular weight of 339.52 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide is sourced from PubChem (CID 164604144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).