N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H28N2O2 — CID 119299994

IUPACN-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)C2CC3CCCCC3N2)c1
InChIInChI=1S/C19H28N2O2/c1-13-6-5-8-16(10-13)23-12-14(2)20-19(22)18-11-15-7-3-4-9-17(15)21-18/h5-6,8,10,14-15,17-18,21H,3-4,7,9,11-12H2,1-2H3,(H,20,22)
InChIKeyVRBKLJUORCQZSM-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.80
Rot. Bonds5

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

N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119299994) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119299994
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)C2CC3CCCCC3N2)c1
InChIInChI=1S/C19H28N2O2/c1-13-6-5-8-16(10-13)23-12-14(2)20-19(22)18-11-15-7-3-4-9-17(15)21-18/h5-6,8,10,14-15,17-18,21H,3-4,7,9,11-12H2,1-2H3,(H,20,22)
InChIKeyVRBKLJUORCQZSM-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
CID 119742802
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
N-[1-(3-methylphenoxy)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 86828412
N-(5-methylhexan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579335
N-(4-hydroxy-4-phenylbutan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337585
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
N-[1-(furan-2-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43705208
N-[(3-ethoxyphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284495
(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
CID 97235197
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 110903274

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119299994) is N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is Cc1cccc(OCC(C)NC(=O)C2CC3CCCCC3N2)c1.
What is the InChIKey of N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is VRBKLJUORCQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-6-5-8-16(10-13)23-12-14(2)20-19(22)18-11-15-7-3-4-9-17(15)21-18/h5-6,8,10,14-15,17-18,21H,3-4,7,9,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119299994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).