N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C17H25ClN2O — CID 119280852

IUPACN-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCc1cccc(N(C)C(=O)C2CC3CCCCC3N2)c1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-12-6-5-8-14(10-12)19(2)17(20)16-11-13-7-3-4-9-15(13)18-16;/h5-6,8,10,13,15-16,18H,3-4,7,9,11H2,1-2H3;1H
InChIKeyRMHURUVOMMQZLR-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.30
Rot. Bonds2

About N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119280852) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119280852
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCc1cccc(N(C)C(=O)C2CC3CCCCC3N2)c1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-12-6-5-8-14(10-12)19(2)17(20)16-11-13-7-3-4-9-15(13)18-16;/h5-6,8,10,13,15-16,18H,3-4,7,9,11H2,1-2H3;1H
InChIKeyRMHURUVOMMQZLR-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470763
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CID 24699251
N-[(3-hydroxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60954154
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CID 66471611
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119313008
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CID 75606273
N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82908415
N-methyl-N-pyridin-4-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106935062
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119294376
N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908798
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119280852) is N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is Cc1cccc(N(C)C(=O)C2CC3CCCCC3N2)c1.Cl.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is RMHURUVOMMQZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-12-6-5-8-14(10-12)19(2)17(20)16-11-13-7-3-4-9-15(13)18-16;/h5-6,8,10,13,15-16,18H,3-4,7,9,11H2,1-2H3;1H.
What are the key properties of N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119280852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).