N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C19H25NO3 — CID 46481351

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCOCc1ccc(CNC(=O)C2CC3CCCC(C2)C3=O)cc1
InChIInChI=1S/C19H25NO3/c1-23-12-14-7-5-13(6-8-14)11-20-19(22)17-9-15-3-2-4-16(10-17)18(15)21/h5-8,15-17H,2-4,9-12H2,1H3,(H,20,22)
InChIKeyFHDPYBGFKYZXNC-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.84
Rot. Bonds5

About N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 46481351) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID46481351
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCOCc1ccc(CNC(=O)C2CC3CCCC(C2)C3=O)cc1
InChIInChI=1S/C19H25NO3/c1-23-12-14-7-5-13(6-8-14)11-20-19(22)17-9-15-3-2-4-16(10-17)18(15)21/h5-8,15-17H,2-4,9-12H2,1H3,(H,20,22)
InChIKeyFHDPYBGFKYZXNC-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]benzoate
CID 18084141
9-oxo-N-[4-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]but-2-ynyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 167908810
N-[(4-ethoxy-3-methoxyphenyl)methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
CID 102560240
trans-(1S,2S)-2-[[4-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131684
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 8738643
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978
(1R,5R)-9-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 98405028
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 115161488
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119777508
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 46481351) is N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is COCc1ccc(CNC(=O)C2CC3CCCC(C2)C3=O)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is FHDPYBGFKYZXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-23-12-14-7-5-13(6-8-14)11-20-19(22)17-9-15-3-2-4-16(10-17)18(15)21/h5-8,15-17H,2-4,9-12H2,1H3,(H,20,22).
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 46481351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).