3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide

C17H32N2O3 — CID 171593836

IUPAC3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC1CCCCCC1
InChIInChI=1S/C17H32N2O3/c1-12(2)16(20)19-15(17(21)18-4)13(3)22-11-14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyXFCJRXJNAQGZTA-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.25
Rot. Bonds7

About 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide

3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide (PubChem CID 171593836) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide.

Molecular Properties

Compound Name3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
PubChem CID171593836
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC1CCCCCC1
InChIInChI=1S/C17H32N2O3/c1-12(2)16(20)19-15(17(21)18-4)13(3)22-11-14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyXFCJRXJNAQGZTA-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide
CID 171593775
2-acetamido-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164604698
2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 174329363
2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
CID 164604737
ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate
CID 171594312
3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594058
2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide
CID 70921332
N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide
CID 164604144
N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170758965
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]-2-methylpropanamide
CID 171593725

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide?
The IUPAC name of 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide (CID 171593836) is 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide.
What is the SMILES notation for 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide?
The canonical SMILES for 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide is CNC(=O)C(NC(=O)C(C)C)C(C)OCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide?
The InChIKey is XFCJRXJNAQGZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-12(2)16(20)19-15(17(21)18-4)13(3)22-11-14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide?
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide has a molecular weight of 312.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide is sourced from PubChem (CID 171593836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).