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

C17H27N3O — CID 107388913

IUPACN-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CC(C)NCc2ccccc21
InChIInChI=1S/C17H27N3O/c1-12(2)9-19-17(21)14(4)20-11-13(3)18-10-15-7-5-6-8-16(15)20/h5-8,12-14,18H,9-11H2,1-4H3,(H,19,21)
InChIKeyGCCUNZKQUZIDKM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.15
Rot. Bonds4

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

N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (PubChem CID 107388913) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
PubChem CID107388913
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CC(C)NCc2ccccc21
InChIInChI=1S/C17H27N3O/c1-12(2)9-19-17(21)14(4)20-11-13(3)18-10-15-7-5-6-8-16(15)20/h5-8,12-14,18H,9-11H2,1-4H3,(H,19,21)
InChIKeyGCCUNZKQUZIDKM-UHFFFAOYSA-N
XLogP2.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carboxamide
CID 107388767
propan-2-yl 2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetate
CID 107389097
2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-N-prop-2-enylacetamide
CID 107388849
2-methylsulfanyl-1-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanone
CID 107388469
3-methyl-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carboxamide
CID 107388759
2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride
CID 119924545
2,2-dimethyl-1-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one
CID 107388590
N-cyclopropyl-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carboxamide
CID 107388751
methyl 2-[(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)sulfonyl]acetate
CID 107388768
(2-chlorofuran-3-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 107388653
1-(azetidin-1-yl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanone
CID 107389144
(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-pyridin-2-ylmethanone
CID 107388591

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The IUPAC name of N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (CID 107388913) is N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide is CC(C)CNC(=O)C(C)N1CC(C)NCc2ccccc21.
What is the InChIKey of N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
The InChIKey is GCCUNZKQUZIDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)9-19-17(21)14(4)20-11-13(3)18-10-15-7-5-6-8-16(15)20/h5-8,12-14,18H,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide?
N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide is sourced from PubChem (CID 107388913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).