N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

C23H37N5O2 — CID 90759554

IUPACN-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESCNC(=O)[C@@H](N(C(=O)c1ncn2c1CN(C)CCC2)[C@@H]1CC=CCCC1)C(C)(C)C
InChIInChI=1S/C23H37N5O2/c1-23(2,3)20(21(29)24-4)28(17-11-8-6-7-9-12-17)22(30)19-18-15-26(5)13-10-14-27(18)16-25-19/h6,8,16-17,20H,7,9-15H2,1-5H3,(H,24,29)/t17-,20-/m1/s1
InChIKeyHSBSVZNWMPTHFI-YLJYHZDGSA-N
MW415.58 g/mol
LogP2.82
Rot. Bonds4

About N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (PubChem CID 90759554) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
PubChem CID90759554
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC NameN-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESCNC(=O)[C@@H](N(C(=O)c1ncn2c1CN(C)CCC2)[C@@H]1CC=CCCC1)C(C)(C)C
InChIInChI=1S/C23H37N5O2/c1-23(2,3)20(21(29)24-4)28(17-11-8-6-7-9-12-17)22(30)19-18-15-26(5)13-10-14-27(18)16-25-19/h6,8,16-17,20H,7,9-15H2,1-5H3,(H,24,29)/t17-,20-/m1/s1
InChIKeyHSBSVZNWMPTHFI-YLJYHZDGSA-N
XLogP2.82
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The IUPAC name of N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (CID 90759554) is N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.
What is the SMILES notation for N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The canonical SMILES for N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is CNC(=O)[C@@H](N(C(=O)c1ncn2c1CN(C)CCC2)[C@@H]1CC=CCCC1)C(C)(C)C.
What is the InChIKey of N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The InChIKey is HSBSVZNWMPTHFI-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-23(2,3)20(21(29)24-4)28(17-11-8-6-7-9-12-17)22(30)19-18-15-26(5)13-10-14-27(18)16-25-19/h6,8,16-17,20H,7,9-15H2,1-5H3,(H,24,29)/t17-,20-/m1/s1.
What are the key properties of N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclohept-3-en-1-yl]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 90759554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).