(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide

C19H28N2O3 — CID 97250350

IUPAC(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide
SMILESCC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCOC1
InChIInChI=1S/C19H28N2O3/c1-5-14(3)21(19(23)16-9-10-24-12-16)11-18(22)20-17-8-6-7-13(2)15(17)4/h6-8,14,16H,5,9-12H2,1-4H3,(H,20,22)/t14-,16+/m1/s1
InChIKeyGHFOLPKXPNMWQP-ZBFHGGJFSA-N
MW332.44 g/mol
LogP2.91
Rot. Bonds6

About (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide

(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide (PubChem CID 97250350) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide
PubChem CID97250350
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide
SMILESCC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCOC1
InChIInChI=1S/C19H28N2O3/c1-5-14(3)21(19(23)16-9-10-24-12-16)11-18(22)20-17-8-6-7-13(2)15(17)4/h6-8,14,16H,5,9-12H2,1-4H3,(H,20,22)/t14-,16+/m1/s1
InChIKeyGHFOLPKXPNMWQP-ZBFHGGJFSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51887306
N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 112807272
2-[[(2S)-butan-2-yl]-(2-phenylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 7821075
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7816125
N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42927926
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
CID 42923580
[2-[[(2S)-butan-2-yl]-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 51565065
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115916565
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide (CID 97250350) is (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide is CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide?
The InChIKey is GHFOLPKXPNMWQP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-14(3)21(19(23)16-9-10-24-12-16)11-18(22)20-17-8-6-7-13(2)15(17)4/h6-8,14,16H,5,9-12H2,1-4H3,(H,20,22)/t14-,16+/m1/s1.
What are the key properties of (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide?
(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide is sourced from PubChem (CID 97250350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).