(6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide

C19H30N2O3 — CID 97446127

IUPAC(6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide
SMILESCCc1cc(CC)c(NC(=O)N2CCOC[C@H](CO)C2)c(CC)c1
InChIInChI=1S/C19H30N2O3/c1-4-14-9-16(5-2)18(17(6-3)10-14)20-19(23)21-7-8-24-13-15(11-21)12-22/h9-10,15,22H,4-8,11-13H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeyFWTMTRXWRHRNGB-HNNXBMFYSA-N
MW334.46 g/mol
LogP2.85
Rot. Bonds5

About (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide

(6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide (PubChem CID 97446127) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide
PubChem CID97446127
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide
SMILESCCc1cc(CC)c(NC(=O)N2CCOC[C@H](CO)C2)c(CC)c1
InChIInChI=1S/C19H30N2O3/c1-4-14-9-16(5-2)18(17(6-3)10-14)20-19(23)21-7-8-24-13-15(11-21)12-22/h9-10,15,22H,4-8,11-13H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeyFWTMTRXWRHRNGB-HNNXBMFYSA-N
XLogP2.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-N-(5-chloro-2-ethyl-3-methyl-1-benzofuran-7-yl)-6-(hydroxymethyl)-1,4-oxazepane-4-carboxamide
CID 97435157
(6S)-6-(hydroxymethyl)-N-[3-(4-methylphenyl)phenyl]-1,4-oxazepane-4-carboxamide
CID 97453775
(6R)-6-(hydroxymethyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)-1,4-oxazepane-4-carboxamide
CID 97280869
(6R)-N-(3-cyano-4-methoxyphenyl)-6-(hydroxymethyl)-1,4-oxazepane-4-carboxamide
CID 97279682
(6R)-6-(hydroxymethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]-1,4-oxazepane-4-carboxamide
CID 97273127
(6S)-6-(hydroxymethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]-1,4-oxazepane-4-carboxamide
CID 97273126
6-(hydroxymethyl)-N-(3-pyridin-3-ylphenyl)-1,4-oxazepane-4-carboxamide
CID 72918711
1,3-benzodioxol-5-yl-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]methanone
CID 70744758
[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70785207
2,3-dihydro-1,4-benzodioxin-6-yl-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]methanone
CID 70757190
3-[6-(hydroxymethyl)-1,4-oxazepane-4-carbonyl]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 70753246
1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one
CID 156718646

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide?
The IUPAC name of (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide (CID 97446127) is (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide is CCc1cc(CC)c(NC(=O)N2CCOC[C@H](CO)C2)c(CC)c1.
What is the InChIKey of (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide?
The InChIKey is FWTMTRXWRHRNGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-14-9-16(5-2)18(17(6-3)10-14)20-19(23)21-7-8-24-13-15(11-21)12-22/h9-10,15,22H,4-8,11-13H2,1-3H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide?
(6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(hydroxymethyl)-N-(2,4,6-triethylphenyl)-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 97446127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).