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

C17H22N4O3 — CID 59877916

IUPAC2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@@H](C)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIInChI=1S/C17H22N4O3/c1-10(2)15(22)19-11(3)16(23)20-14-13-8-6-5-7-12(13)9-18-21(4)17(14)24/h5-11,14H,1-4H3,(H,19,22)(H,20,23)/t11-,14?/m0/s1
InChIKeyBGTPZOSZNGFKMS-ZSOXZCCMSA-N
MW330.39 g/mol
LogP0.81
Rot. Bonds4

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

2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide (PubChem CID 59877916) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide
PubChem CID59877916
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@@H](C)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIInChI=1S/C17H22N4O3/c1-10(2)15(22)19-11(3)16(23)20-14-13-8-6-5-7-12(13)9-18-21(4)17(14)24/h5-11,14H,1-4H3,(H,19,22)(H,20,23)/t11-,14?/m0/s1
InChIKeyBGTPZOSZNGFKMS-ZSOXZCCMSA-N
XLogP0.81
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
N-Methyl-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 655510
4-Methyl-1-oxo-2(1H)-phthalazineacetamide
CID 658785
(2S)-2-[[2-(3,5-difluorophenyl)-2-oxoacetyl]amino]-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide
CID 44440651
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)pentanamide
CID 44440658
2-(3-butyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(2-(diethylamino)ethyl)acetamide
CID 1827716
3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide
CID 2085247
N-benzyl-2-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)acetamide
CID 16189572
N-Benzyl-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 589822
2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(1-phenylethyl)acetamide
CID 661228
N-{2-[(2E)-2-benzylidenehydrazino]-1-methyl-2-oxoethyl}benzamide
CID 9596947
2-(4-benzyl-1-oxo-2(1H)-phthalazinyl)-N-[2-(diethylamino)ethyl]acetamide
CID 2288386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide (CID 59877916) is 2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide is CC(C)C(=O)N[C@@H](C)C(=O)NC1C(=O)N(C)N=Cc2ccccc21.
What is the InChIKey of 2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is BGTPZOSZNGFKMS-ZSOXZCCMSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)15(22)19-11(3)16(23)20-14-13-8-6-5-7-12(13)9-18-21(4)17(14)24/h5-11,14H,1-4H3,(H,19,22)(H,20,23)/t11-,14?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide?
2-methyl-N-[(2S)-1-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 330.39 g/mol, XLogP of 0.81, 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-[(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 59877916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).