(2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C18H26N2O2 — CID 97366883

IUPAC(2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccccc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1
InChIInChI=1S/C18H26N2O2/c1-13-6-4-5-7-15(13)11-20-9-8-14-10-16(18(21)19(2)3)22-17(14)12-20/h4-7,14,16-17H,8-12H2,1-3H3/t14-,16+,17-/m0/s1
InChIKeyNEVOQVPCNHNNTH-UAGQMJEPSA-N
MW302.42 g/mol
LogP2.06
Rot. Bonds3

About (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366883) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366883
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccccc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1
InChIInChI=1S/C18H26N2O2/c1-13-6-4-5-7-15(13)11-20-9-8-14-10-16(18(21)19(2)3)22-17(14)12-20/h4-7,14,16-17H,8-12H2,1-3H3/t14-,16+,17-/m0/s1
InChIKeyNEVOQVPCNHNNTH-UAGQMJEPSA-N
XLogP2.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366883) is (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is Cc1ccccc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1.
What is the InChIKey of (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is NEVOQVPCNHNNTH-UAGQMJEPSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-6-4-5-7-15(13)11-20-9-8-14-10-16(18(21)19(2)3)22-17(14)12-20/h4-7,14,16-17H,8-12H2,1-3H3/t14-,16+,17-/m0/s1.
What are the key properties of (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aR)-N,N-dimethyl-6-[(2-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).