2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide

C19H26N4O2 — CID 99715807

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide
SMILESCCCn1ccc2ccc(NC(=O)C(=O)N3CCCN(C)CC3)cc21
InChIInChI=1S/C19H26N4O2/c1-3-8-22-11-7-15-5-6-16(14-17(15)22)20-18(24)19(25)23-10-4-9-21(2)12-13-23/h5-7,11,14H,3-4,8-10,12-13H2,1-2H3,(H,20,24)
InChIKeyYZJBTWDAONAYCZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.15
Rot. Bonds3

About 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide

2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide (PubChem CID 99715807) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide
PubChem CID99715807
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide
SMILESCCCn1ccc2ccc(NC(=O)C(=O)N3CCCN(C)CC3)cc21
InChIInChI=1S/C19H26N4O2/c1-3-8-22-11-7-15-5-6-16(14-17(15)22)20-18(24)19(25)23-10-4-9-21(2)12-13-23/h5-7,11,14H,3-4,8-10,12-13H2,1-2H3,(H,20,24)
InChIKeyYZJBTWDAONAYCZ-UHFFFAOYSA-N
XLogP2.15
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 111474969
N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
CID 71990600
(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
CID 125141718
2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
CID 119797080
2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
(3S)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 97253653
2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
CID 119957554
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517085
3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119797067
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide
CID 166210920

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide (CID 99715807) is 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide is CCCn1ccc2ccc(NC(=O)C(=O)N3CCCN(C)CC3)cc21.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide?
The InChIKey is YZJBTWDAONAYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-8-22-11-7-15-5-6-16(14-17(15)22)20-18(24)19(25)23-10-4-9-21(2)12-13-23/h5-7,11,14H,3-4,8-10,12-13H2,1-2H3,(H,20,24).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide is sourced from PubChem (CID 99715807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).