(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H26N2O — CID 98365932

IUPAC(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)N(C)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-13(20(2)16-6-4-3-5-7-16)12-19-18(21)17-11-14-8-9-15(17)10-14/h3-7,13-15,17H,8-12H2,1-2H3,(H,19,21)/t13-,14-,15-,17-/m1/s1
InChIKeyKBOWNFDOTGSMMK-KCYZZUKISA-N
MW286.42 g/mol
LogP3.06
Rot. Bonds5

About (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98365932) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98365932
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)N(C)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-13(20(2)16-6-4-3-5-7-16)12-19-18(21)17-11-14-8-9-15(17)10-14/h3-7,13-15,17H,8-12H2,1-2H3,(H,19,21)/t13-,14-,15-,17-/m1/s1
InChIKeyKBOWNFDOTGSMMK-KCYZZUKISA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
CID 62883678
2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide
CID 78876459
N-[2-hydroxy-2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 111119691
N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103512804
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 102562600
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134046553
N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103771225
(1S,2S,4S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98681836
(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98341757
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 98365932) is (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide is C[C@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)N(C)c1ccccc1.
What is the InChIKey of (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KBOWNFDOTGSMMK-KCYZZUKISA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(20(2)16-6-4-3-5-7-16)12-19-18(21)17-11-14-8-9-15(17)10-14/h3-7,13-15,17H,8-12H2,1-2H3,(H,19,21)/t13-,14-,15-,17-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98365932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).