2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide

C20H30N4O3 — CID 59877915

IUPAC2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@@H](C)C(=O)NC1C(=O)N(C)N(C)C(C)(C)c2ccccc21
InChIInChI=1S/C20H30N4O3/c1-12(2)17(25)21-13(3)18(26)22-16-14-10-8-9-11-15(14)20(4,5)24(7)23(6)19(16)27/h8-13,16H,1-7H3,(H,21,25)(H,22,26)/t13-,16?/m0/s1
InChIKeyFWIDTMDRSQCLEH-KNVGNIICSA-N
MW374.49 g/mol
LogP1.56
Rot. Bonds4

About 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide

2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide (PubChem CID 59877915) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide
PubChem CID59877915
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@@H](C)C(=O)NC1C(=O)N(C)N(C)C(C)(C)c2ccccc21
InChIInChI=1S/C20H30N4O3/c1-12(2)17(25)21-13(3)18(26)22-16-14-10-8-9-11-15(14)20(4,5)24(7)23(6)19(16)27/h8-13,16H,1-7H3,(H,21,25)(H,22,26)/t13-,16?/m0/s1
InChIKeyFWIDTMDRSQCLEH-KNVGNIICSA-N
XLogP1.56
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide (CID 59877915) is 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide is CC(C)C(=O)N[C@@H](C)C(=O)NC1C(=O)N(C)N(C)C(C)(C)c2ccccc21.
What is the InChIKey of 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide?
The InChIKey is FWIDTMDRSQCLEH-KNVGNIICSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-12(2)17(25)21-13(3)18(26)22-16-14-10-8-9-11-15(14)20(4,5)24(7)23(6)19(16)27/h8-13,16H,1-7H3,(H,21,25)(H,22,26)/t13-,16?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide?
2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1-oxo-1-[(1,1,2,3-tetramethyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]propan-2-yl]propanamide is sourced from PubChem (CID 59877915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).