(4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide

C19H32N2O3 — CID 101364174

IUPAC(4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide
SMILESC=CCCC1(C(=O)NC(=O)N2COC[C@@H]2C(C)CC)CCCCC1
InChIInChI=1S/C19H32N2O3/c1-4-6-10-19(11-8-7-9-12-19)17(22)20-18(23)21-14-24-13-16(21)15(3)5-2/h4,15-16H,1,5-14H2,2-3H3,(H,20,22,23)/t15?,16-/m1/s1
InChIKeyYSUXASANBFHBGG-OEMAIJDKSA-N
MW336.48 g/mol
LogP3.84
Rot. Bonds6

About (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide

(4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide (PubChem CID 101364174) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide
PubChem CID101364174
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide
SMILESC=CCCC1(C(=O)NC(=O)N2COC[C@@H]2C(C)CC)CCCCC1
InChIInChI=1S/C19H32N2O3/c1-4-6-10-19(11-8-7-9-12-19)17(22)20-18(23)21-14-24-13-16(21)15(3)5-2/h4,15-16H,1,5-14H2,2-3H3,(H,20,22,23)/t15?,16-/m1/s1
InChIKeyYSUXASANBFHBGG-OEMAIJDKSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide with MolForge

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Related Compounds

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CID 158701514
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1-but-3-enyl-3-ethylcyclohexane-1-carboxylic acid
CID 79428476
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
4-(hept-6-en-3-ylamino)oxolan-3-ol
CID 115923400
butan-2-yl 2-but-3-enyl-1-prop-2-enylpiperidine-2-carboxylate
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N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide
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1-(2-but-3-enoxypropanoylamino)cycloheptane-1-carboxylic acid
CID 120538661
1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436758
1-(1-ethylcyclopentyl)oct-7-en-1-one
CID 107011252
methyl 1-prop-2-enoxycyclohexane-1-carboxylate
CID 130466447
N-(1-methylcyclopentyl)-2-methylsulfanylacetamide
CID 131154660

Frequently Asked Questions

What is the IUPAC name of (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide (CID 101364174) is (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide is C=CCCC1(C(=O)NC(=O)N2COC[C@@H]2C(C)CC)CCCCC1.
What is the InChIKey of (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide?
The InChIKey is YSUXASANBFHBGG-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-4-6-10-19(11-8-7-9-12-19)17(22)20-18(23)21-14-24-13-16(21)15(3)5-2/h4,15-16H,1,5-14H2,2-3H3,(H,20,22,23)/t15?,16-/m1/s1.
What are the key properties of (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide?
(4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-butan-2-yl-N-(1-but-3-enylcyclohexanecarbonyl)-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 101364174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).