2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride

C16H24ClN3O — CID 119797080

IUPAC2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
SMILESCCCn1ccc2ccc(NC(=O)C(C)CNC)cc21.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-4-8-19-9-7-13-5-6-14(10-15(13)19)18-16(20)12(2)11-17-3;/h5-7,9-10,12,17H,4,8,11H2,1-3H3,(H,18,20);1H
InChIKeyMFXMBHJPJYHCNT-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.27
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride

2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride (PubChem CID 119797080) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
PubChem CID119797080
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
SMILESCCCn1ccc2ccc(NC(=O)C(C)CNC)cc21.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-4-8-19-9-7-13-5-6-14(10-15(13)19)18-16(20)12(2)11-17-3;/h5-7,9-10,12,17H,4,8,11H2,1-3H3,(H,18,20);1H
InChIKeyMFXMBHJPJYHCNT-UHFFFAOYSA-N
XLogP3.27
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
CID 111474973
2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
CID 119957554
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
1-(2-hydroxy-3-methoxypropyl)-3-(1-propylindol-6-yl)urea
CID 111474971
3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
CID 71990600
4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide
CID 120592934
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
CID 119891314
2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
CID 119764196
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
3-(2-hydroxypropyl)-N-(1-propylindol-6-yl)morpholine-4-carboxamide
CID 75509204

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride (CID 119797080) is 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride is CCCn1ccc2ccc(NC(=O)C(C)CNC)cc21.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride?
The InChIKey is MFXMBHJPJYHCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.ClH/c1-4-8-19-9-7-13-5-6-14(10-15(13)19)18-16(20)12(2)11-17-3;/h5-7,9-10,12,17H,4,8,11H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride is sourced from PubChem (CID 119797080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).