N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide

C20H29N3O2 — CID 56792938

IUPACN,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide
SMILESCC1CC2CCCCC2N1CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-14-12-16-6-4-5-7-18(16)23(14)13-19(24)21-17-10-8-15(9-11-17)20(25)22(2)3/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyVUDDGMRIFKJEGO-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.98
Rot. Bonds4

About N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide

N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide (PubChem CID 56792938) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide
PubChem CID56792938
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide
SMILESCC1CC2CCCCC2N1CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-14-12-16-6-4-5-7-18(16)23(14)13-19(24)21-17-10-8-15(9-11-17)20(25)22(2)3/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyVUDDGMRIFKJEGO-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

4-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 11931448
4-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 46802394
4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide
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CID 17368155
4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8904118
N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide
CID 47543700
N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 27223796
methyl (2S,3aS,7aR)-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124726790
4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride
CID 120775335
4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60510107
ethyl 1-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931262
4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8895842

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide (CID 56792938) is N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide is CC1CC2CCCCC2N1CC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide?
The InChIKey is VUDDGMRIFKJEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-12-16-6-4-5-7-18(16)23(14)13-19(24)21-17-10-8-15(9-11-17)20(25)22(2)3/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,21,24).
What are the key properties of N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide has a molecular weight of 343.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 56792938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).