N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C17H24N2O2 — CID 66470767

IUPACN-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC3CCCCC3N2)c1
InChIInChI=1S/C17H24N2O2/c1-21-14-7-4-6-13(11-14)18-17(20)16-10-9-12-5-2-3-8-15(12)19-16/h4,6-7,11-12,15-16,19H,2-3,5,8-10H2,1H3,(H,18,20)
InChIKeyUJMZZVRDSGRTOE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.94
Rot. Bonds3

About N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66470767) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66470767
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC3CCCCC3N2)c1
InChIInChI=1S/C17H24N2O2/c1-21-14-7-4-6-13(11-14)18-17(20)16-10-9-12-5-2-3-8-15(12)19-16/h4,6-7,11-12,15-16,19H,2-3,5,8-10H2,1H3,(H,18,20)
InChIKeyUJMZZVRDSGRTOE-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66470767) is N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is COc1cccc(NC(=O)C2CCC3CCCCC3N2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is UJMZZVRDSGRTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-14-7-4-6-13(11-14)18-17(20)16-10-9-12-5-2-3-8-15(12)19-16/h4,6-7,11-12,15-16,19H,2-3,5,8-10H2,1H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66470767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).