N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C20H27N3O2 — CID 119283991

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C20H27N3O2/c1-12-6-7-14(19(24)21-15-8-9-15)11-17(12)23-20(25)18-10-13-4-2-3-5-16(13)22-18/h6-7,11,13,15-16,18,22H,2-5,8-10H2,1H3,(H,21,24)(H,23,25)
InChIKeyBEESXDKMRASOQO-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.75
Rot. Bonds4

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119283991) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119283991
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C20H27N3O2/c1-12-6-7-14(19(24)21-15-8-9-15)11-17(12)23-20(25)18-10-13-4-2-3-5-16(13)22-18/h6-7,11,13,15-16,18,22H,2-5,8-10H2,1H3,(H,21,24)(H,23,25)
InChIKeyBEESXDKMRASOQO-UHFFFAOYSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119321959
N-(4-chloro-2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262288
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide
CID 119713511
N-(2-fluoro-5-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119264139
N-(3-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119876308
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 94007148
N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 104618960
cis-(1R,2S)-2-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
CID 138003102
N-(3,5-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263211
N-(3-carbamoyl-4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119316558

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119283991) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is BEESXDKMRASOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-12-6-7-14(19(24)21-15-8-9-15)11-17(12)23-20(25)18-10-13-4-2-3-5-16(13)22-18/h6-7,11,13,15-16,18,22H,2-5,8-10H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119283991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).