N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide

C13H18N4O2 — CID 55177662

IUPACN-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)N1CCNCc2ccccc21
InChIInChI=1S/C13H18N4O2/c1-9(12(18)16-13(14)19)17-7-6-15-8-10-4-2-3-5-11(10)17/h2-5,9,15H,6-8H2,1H3,(H3,14,16,18,19)
InChIKeyVJKQCGRYYLJEMO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.18
Rot. Bonds2

About N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide

N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (PubChem CID 55177662) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
PubChem CID55177662
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)N1CCNCc2ccccc21
InChIInChI=1S/C13H18N4O2/c1-9(12(18)16-13(14)19)17-7-6-15-8-10-4-2-3-5-11(10)17/h2-5,9,15H,6-8H2,1H3,(H3,14,16,18,19)
InChIKeyVJKQCGRYYLJEMO-UHFFFAOYSA-N
XLogP0.18
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101431
N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101585
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(propan-2-ylcarbamoyl)propanamide
CID 51242293
2-cyclopropyl-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one
CID 81478559
1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101229
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
CID 63101108
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 26551728
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
1-(2-methyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100420
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
acetamide;1,2,3,4-tetrahydroisoquinoline
CID 67612975
N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The IUPAC name of N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (CID 55177662) is N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide is CC(C(=O)NC(N)=O)N1CCNCc2ccccc21.
What is the InChIKey of N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The InChIKey is VJKQCGRYYLJEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(12(18)16-13(14)19)17-7-6-15-8-10-4-2-3-5-11(10)17/h2-5,9,15H,6-8H2,1H3,(H3,14,16,18,19).
What are the key properties of N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide is sourced from PubChem (CID 55177662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).