N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide

C25H37N5O2 — CID 66660410

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CCN(CC(C)C)CC2)C(C)(C)C
InChIInChI=1S/C25H37N5O2/c1-17(2)16-29-13-12-19-20(23(31)28-21(24(32)26-6)25(3,4)5)27-22(30(19)15-14-29)18-10-8-7-9-11-18/h7-11,17,21H,12-16H2,1-6H3,(H,26,32)(H,28,31)/t21-/m1/s1
InChIKeyFEUKTIBZLAYQKI-OAQYLSRUSA-N
MW439.60 g/mol
LogP2.95
Rot. Bonds6

About N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide (PubChem CID 66660410) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide
PubChem CID66660410
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CCN(CC(C)C)CC2)C(C)(C)C
InChIInChI=1S/C25H37N5O2/c1-17(2)16-29-13-12-19-20(23(31)28-21(24(32)26-6)25(3,4)5)27-22(30(19)15-14-29)18-10-8-7-9-11-18/h7-11,17,21H,12-16H2,1-6H3,(H,26,32)(H,28,31)/t21-/m1/s1
InChIKeyFEUKTIBZLAYQKI-OAQYLSRUSA-N
XLogP2.95
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide (CID 66660410) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide is CNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CCN(CC(C)C)CC2)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide?
The InChIKey is FEUKTIBZLAYQKI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-17(2)16-29-13-12-19-20(23(31)28-21(24(32)26-6)25(3,4)5)27-22(30(19)15-14-29)18-10-8-7-9-11-18/h7-11,17,21H,12-16H2,1-6H3,(H,26,32)(H,28,31)/t21-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 66660410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).