N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

C20H26N4O2 — CID 100831133

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESCc1cc(C)n(CCCNC(=O)CN2C(=O)CCCc3ccccc32)n1
InChIInChI=1S/C20H26N4O2/c1-15-13-16(2)24(22-15)12-6-11-21-19(25)14-23-18-9-4-3-7-17(18)8-5-10-20(23)26/h3-4,7,9,13H,5-6,8,10-12,14H2,1-2H3,(H,21,25)
InChIKeyHQSKGRIVFJBZOW-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.38
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (PubChem CID 100831133) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
PubChem CID100831133
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESCc1cc(C)n(CCCNC(=O)CN2C(=O)CCCc3ccccc32)n1
InChIInChI=1S/C20H26N4O2/c1-15-13-16(2)24(22-15)12-6-11-21-19(25)14-23-18-9-4-3-7-17(18)8-5-10-20(23)26/h3-4,7,9,13H,5-6,8,10-12,14H2,1-2H3,(H,21,25)
InChIKeyHQSKGRIVFJBZOW-UHFFFAOYSA-N
XLogP2.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 50758027
N-[3-(2-fluorophenyl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 100831161
N-[(4-methylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276056
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-prop-2-enylacetamide
CID 100831100
N-(2,5-dimethylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276059
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 100831147
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 78849558
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 111279107
2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide
CID 61485959
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548672
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-hydroxyphenyl)acetamide
CID 115603539

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (CID 100831133) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is Cc1cc(C)n(CCCNC(=O)CN2C(=O)CCCc3ccccc32)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The InChIKey is HQSKGRIVFJBZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-13-16(2)24(22-15)12-6-11-21-19(25)14-23-18-9-4-3-7-17(18)8-5-10-20(23)26/h3-4,7,9,13H,5-6,8,10-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is sourced from PubChem (CID 100831133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).