(2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide

C25H33N3O3 — CID 99785103

IUPAC(2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C25H33N3O3/c1-18(2)22(17-28(3)16-19-9-5-4-6-10-19)27-24(29)20-11-7-12-21(15-20)26-25(30)23-13-8-14-31-23/h4-7,9-12,15,18,22-23H,8,13-14,16-17H2,1-3H3,(H,26,30)(H,27,29)/t22-,23-/m0/s1
InChIKeyFLBPPPZJVZBPKC-GOTSBHOMSA-N
MW423.56 g/mol
LogP3.69
Rot. Bonds9

About (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 99785103) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID99785103
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name(2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C25H33N3O3/c1-18(2)22(17-28(3)16-19-9-5-4-6-10-19)27-24(29)20-11-7-12-21(15-20)26-25(30)23-13-8-14-31-23/h4-7,9-12,15,18,22-23H,8,13-14,16-17H2,1-3H3,(H,26,30)(H,27,29)/t22-,23-/m0/s1
InChIKeyFLBPPPZJVZBPKC-GOTSBHOMSA-N
XLogP3.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
CID 112982284
N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111124506
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 99785103) is (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide is CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1.
What is the InChIKey of (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is FLBPPPZJVZBPKC-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(2)22(17-28(3)16-19-9-5-4-6-10-19)27-24(29)20-11-7-12-21(15-20)26-25(30)23-13-8-14-31-23/h4-7,9-12,15,18,22-23H,8,13-14,16-17H2,1-3H3,(H,26,30)(H,27,29)/t22-,23-/m0/s1.
What are the key properties of (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[(2R)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 99785103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).