N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide

C18H24N4O4 — CID 10316475

IUPACN-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(N)=O)C(=O)CN1C(=O)c2ccccc2NC(=O)[C@@H]1C
InChIInChI=1S/C18H24N4O4/c1-11(2)8-21(9-15(19)23)16(24)10-22-12(3)17(25)20-14-7-5-4-6-13(14)18(22)26/h4-7,11-12H,8-10H2,1-3H3,(H2,19,23)(H,20,25)/t12-/m0/s1
InChIKeyIPXBLRWRBXIDOD-LBPRGKRZSA-N
MW360.41 g/mol
LogP0.44
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide

N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide (PubChem CID 10316475) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide
PubChem CID10316475
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(N)=O)C(=O)CN1C(=O)c2ccccc2NC(=O)[C@@H]1C
InChIInChI=1S/C18H24N4O4/c1-11(2)8-21(9-15(19)23)16(24)10-22-12(3)17(25)20-14-7-5-4-6-13(14)18(22)26/h4-7,11-12H,8-10H2,1-3H3,(H2,19,23)(H,20,25)/t12-/m0/s1
InChIKeyIPXBLRWRBXIDOD-LBPRGKRZSA-N
XLogP0.44
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide with MolForge

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Related Compounds

Dibenzepin
CID 9419
Dibenzepin Hydrochloride
CID 443945
2-Amino-N-isopropylbenzamide
CID 94411
3-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435
Bibn 140
CID 10030021
U 17660
CID 26008
4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
CID 3725575
Cyclopeptine
CID 179574
5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one
CID 372625
2-(Acetylamino)benzamide
CID 118553
2-amino-N,N-diethylbenzamide
CID 10104045
Dehydrocyclopeptine
CID 15649436

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide (CID 10316475) is N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide is CC(C)CN(CC(N)=O)C(=O)CN1C(=O)c2ccccc2NC(=O)[C@@H]1C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is IPXBLRWRBXIDOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11(2)8-21(9-15(19)23)16(24)10-22-12(3)17(25)20-14-7-5-4-6-13(14)18(22)26/h4-7,11-12H,8-10H2,1-3H3,(H2,19,23)(H,20,25)/t12-/m0/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide?
N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 360.41 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[(3S)-3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 10316475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).