N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

C16H19N3O3 — CID 53384173

IUPACN-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
SMILESCC(C)N1C(=O)c2ccccc2NC(=O)C1C(=O)NC1CC1
InChIInChI=1S/C16H19N3O3/c1-9(2)19-13(14(20)17-10-7-8-10)15(21)18-12-6-4-3-5-11(12)16(19)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySBUVTNYCITVPEO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.14
Rot. Bonds3

About N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide (PubChem CID 53384173) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
PubChem CID53384173
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
SMILESCC(C)N1C(=O)c2ccccc2NC(=O)C1C(=O)NC1CC1
InChIInChI=1S/C16H19N3O3/c1-9(2)19-13(14(20)17-10-7-8-10)15(21)18-12-6-4-3-5-11(12)16(19)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySBUVTNYCITVPEO-UHFFFAOYSA-N
XLogP1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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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
2-(Methylamino)benzamide
CID 101222
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-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide (CID 53384173) is N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide is CC(C)N1C(=O)c2ccccc2NC(=O)C1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide?
The InChIKey is SBUVTNYCITVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9(2)19-13(14(20)17-10-7-8-10)15(21)18-12-6-4-3-5-11(12)16(19)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide?
N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide is sourced from PubChem (CID 53384173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).