(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide

C20H31N3O4 — CID 10045150

IUPAC(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C
InChIInChI=1S/C20H31N3O4/c1-20(2,3)17(19(26)21-4)22-18(25)15(13-16(24)23-27)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,17,27H,8,11-13H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1
InChIKeyLPZWIAVKYXCHGC-NVXWUHKLSA-N
MW377.49 g/mol
LogP1.80
Rot. Bonds9

About (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide

(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide (PubChem CID 10045150) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide
PubChem CID10045150
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C
InChIInChI=1S/C20H31N3O4/c1-20(2,3)17(19(26)21-4)22-18(25)15(13-16(24)23-27)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,17,27H,8,11-13H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1
InChIKeyLPZWIAVKYXCHGC-NVXWUHKLSA-N
XLogP1.80
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
The IUPAC name of (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide (CID 10045150) is (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide.
What is the SMILES notation for (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
The canonical SMILES for (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide is CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C.
What is the InChIKey of (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
The InChIKey is LPZWIAVKYXCHGC-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-20(2,3)17(19(26)21-4)22-18(25)15(13-16(24)23-27)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,17,27H,8,11-13H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1.
What are the key properties of (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide has a molecular weight of 377.49 g/mol, XLogP of 1.80, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide is sourced from PubChem (CID 10045150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).