(4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C14H24N2O4 — CID 50851781

IUPAC(4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOCCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-19-8-7-15-13(17)12-10-20-14(18)16(12)9-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyHVEDETQDUIFYHI-LBPRGKRZSA-N
MW284.36 g/mol
LogP1.15
Rot. Bonds6

About (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851781) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851781
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOCCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-19-8-7-15-13(17)12-10-20-14(18)16(12)9-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyHVEDETQDUIFYHI-LBPRGKRZSA-N
XLogP1.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956171
8-Methyl-N-(propan-2-YL)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956174
(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 97478080
(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 124877387
1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 164633323
(4S)-4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 164635133
2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide
CID 164640849
N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 45214983
4-(4-Hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 126814116
4-(Cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985031
propyl N-[(2R)-1-[(2S,4R)-4-amino-2-(cyclohexylmethylcarbamoyl)pyrrolidin-1-yl]-3-(2-methylbutan-2-yloxy)-1-oxopropan-2-yl]carbamate
CID 54444583
(3R)-N-(cyclohexylmethyl)-4-propylmorpholine-3-carboxamide
CID 60053375

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851781) is (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is COCCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is HVEDETQDUIFYHI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-19-8-7-15-13(17)12-10-20-14(18)16(12)9-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).