N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide

C16H21NO3 — CID 6952784

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC
InChIInChI=1S/C16H21NO3/c1-19-14-6-5-12(9-15(14)20-2)16(18)17-13-8-10-3-4-11(13)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,17,18)/t10-,11-,13+/m1/s1
InChIKeyUPAZPHMIQHWIQI-WZRBSPASSA-N
MW275.35 g/mol
LogP2.62
Rot. Bonds4

About N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide (PubChem CID 6952784) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
PubChem CID6952784
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC
InChIInChI=1S/C16H21NO3/c1-19-14-6-5-12(9-15(14)20-2)16(18)17-13-8-10-3-4-11(13)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,17,18)/t10-,11-,13+/m1/s1
InChIKeyUPAZPHMIQHWIQI-WZRBSPASSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 11907103
N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide
CID 133178541
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-diethoxybenzamide
CID 100533999
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dimethoxybenzamide
CID 7449031
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4-dimethoxybenzamide
CID 7459310
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 99939683
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methoxyphenoxy)acetamide
CID 3968254
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxyphenoxy)acetamide
CID 124923600
N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42867171
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide (CID 6952784) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide?
The InChIKey is UPAZPHMIQHWIQI-WZRBSPASSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-14-6-5-12(9-15(14)20-2)16(18)17-13-8-10-3-4-11(13)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,17,18)/t10-,11-,13+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide has a molecular weight of 275.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 6952784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).