4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide

C21H34N2O2 — CID 30481179

IUPAC4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C21H34N2O2/c1-8-9-15(4)22-20(25)18(14(2)3)23-19(24)16-10-12-17(13-11-16)21(5,6)7/h10-15,18H,8-9H2,1-7H3,(H,22,25)(H,23,24)/t15-,18-/m1/s1
InChIKeyPFVJIODFSGCADG-CRAIPNDOSA-N
MW346.51 g/mol
LogP4.04
Rot. Bonds7

About 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide

4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide (PubChem CID 30481179) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide
PubChem CID30481179
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C21H34N2O2/c1-8-9-15(4)22-20(25)18(14(2)3)23-19(24)16-10-12-17(13-11-16)21(5,6)7/h10-15,18H,8-9H2,1-7H3,(H,22,25)(H,23,24)/t15-,18-/m1/s1
InChIKeyPFVJIODFSGCADG-CRAIPNDOSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide (CID 30481179) is 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide is CCC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide?
The InChIKey is PFVJIODFSGCADG-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-8-9-15(4)22-20(25)18(14(2)3)23-19(24)16-10-12-17(13-11-16)21(5,6)7/h10-15,18H,8-9H2,1-7H3,(H,22,25)(H,23,24)/t15-,18-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide?
4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide has a molecular weight of 346.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide is sourced from PubChem (CID 30481179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).