2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide

C14H20N2O2 — CID 124942878

IUPAC2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide
SMILESNC(=O)CN1CCOC[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-14(17)10-16-6-7-18-11-13(9-16)8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)/t13-/m0/s1
InChIKeyAYKDULRTEOWWCK-ZDUSSCGKSA-N
MW248.33 g/mol
LogP0.66
Rot. Bonds4

About 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide

2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide (PubChem CID 124942878) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide.

Molecular Properties

Compound Name2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide
PubChem CID124942878
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide
SMILESNC(=O)CN1CCOC[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-14(17)10-16-6-7-18-11-13(9-16)8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)/t13-/m0/s1
InChIKeyAYKDULRTEOWWCK-ZDUSSCGKSA-N
XLogP0.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide
CID 102604202
2-[6-[(4-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetic acid
CID 102604213
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
2-[(9S)-9-[(4-aminophenyl)methyl]-7,11-bis(carboxymethyl)-1-oxa-4,7,11-triazacyclotridec-4-yl]acetic acid
CID 162773312
4-[[(6R)-4-phenylmethoxycarbonyl-1,4-oxazepan-6-yl]methyl]benzoic acid
CID 124974025
(6-benzyl-1,4-oxazepan-4-yl)-(2-methyl-1,3-oxazol-4-yl)methanone
CID 102604379
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
4-(2-phenylethyl)-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane
CID 127252378
2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol
CID 124978535
2-[6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-N,N-dimethylacetamide
CID 110131956
2-(1-benzylazetidin-3-yl)acetamide
CID 67172961
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide?
The IUPAC name of 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide (CID 124942878) is 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide.
What is the SMILES notation for 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide?
The canonical SMILES for 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide is NC(=O)CN1CCOC[C@@H](Cc2ccccc2)C1.
What is the InChIKey of 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide?
The InChIKey is AYKDULRTEOWWCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(17)10-16-6-7-18-11-13(9-16)8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,17)/t13-/m0/s1.
What are the key properties of 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide?
2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide is sourced from PubChem (CID 124942878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).