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

C16H25N3O2 — CID 64851237

IUPACN-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCCNc2ccccc21
InChIInChI=1S/C16H25N3O2/c1-13(16(20)18-10-6-12-21-2)19-11-5-9-17-14-7-3-4-8-15(14)19/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3,(H,18,20)
InChIKeyOBPSSAAVYQOCDB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.85
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide (PubChem CID 64851237) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
PubChem CID64851237
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCCNc2ccccc21
InChIInChI=1S/C16H25N3O2/c1-13(16(20)18-10-6-12-21-2)19-11-5-9-17-14-7-3-4-8-15(14)19/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3,(H,18,20)
InChIKeyOBPSSAAVYQOCDB-UHFFFAOYSA-N
XLogP1.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
CID 64851827
2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide
CID 62264814
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(2-methoxyethyl)propanamide
CID 77033888
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 110898270
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
CID 79099906
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426
N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 43117550
1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 12858798
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60783044
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide
CID 105058024

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide (CID 64851237) is N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide is COCCCNC(=O)C(C)N1CCCNc2ccccc21.
What is the InChIKey of N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide?
The InChIKey is OBPSSAAVYQOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(16(20)18-10-6-12-21-2)19-11-5-9-17-14-7-3-4-8-15(14)19/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide?
N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide is sourced from PubChem (CID 64851237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).