2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide

C14H26N2O — CID 81392554

IUPAC2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide
SMILESC[C@H](NC(=O)CC1CNC1)C1CCCCCC1
InChIInChI=1S/C14H26N2O/c1-11(13-6-4-2-3-5-7-13)16-14(17)8-12-9-15-10-12/h11-13,15H,2-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyMLMQJMLJNJSKEG-NSHDSACASA-N
MW238.37 g/mol
LogP2.07
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide

2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide (PubChem CID 81392554) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide
PubChem CID81392554
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide
SMILESC[C@H](NC(=O)CC1CNC1)C1CCCCCC1
InChIInChI=1S/C14H26N2O/c1-11(13-6-4-2-3-5-7-13)16-14(17)8-12-9-15-10-12/h11-13,15H,2-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyMLMQJMLJNJSKEG-NSHDSACASA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-N-(1-piperidin-3-ylethyl)acetamide
CID 115736930
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
2-cyclobutyl-N-(1-piperidin-3-ylethyl)acetamide
CID 103806063
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
CID 81386056
N-(1-cyclohexylethyl)-3-piperidin-4-ylpropanamide
CID 62405617
N-[(1S)-1-cyclopentylethyl]-2-methoxyacetamide
CID 81391061
2-(azetidin-3-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 64616757
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
N-[(1R)-1-cyclopentylethyl]-3-piperidin-4-ylpropanamide
CID 81390674

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide (CID 81392554) is 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide is C[C@H](NC(=O)CC1CNC1)C1CCCCCC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide?
The InChIKey is MLMQJMLJNJSKEG-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(13-6-4-2-3-5-7-13)16-14(17)8-12-9-15-10-12/h11-13,15H,2-10H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide?
2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide has a molecular weight of 238.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(1S)-1-cycloheptylethyl]acetamide is sourced from PubChem (CID 81392554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).