N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C23H33NO4 — CID 42958521

IUPACN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC3CCCC(C2)C3=O)ccc1OCC(C)C
InChIInChI=1S/C23H33NO4/c1-14(2)13-28-20-9-8-16(12-21(20)27-4)15(3)24-23(26)19-10-17-6-5-7-18(11-19)22(17)25/h8-9,12,14-15,17-19H,5-7,10-11,13H2,1-4H3,(H,24,26)
InChIKeyHCLKQZLXUKBSGT-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.30
Rot. Bonds7

About N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 42958521) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID42958521
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC3CCCC(C2)C3=O)ccc1OCC(C)C
InChIInChI=1S/C23H33NO4/c1-14(2)13-28-20-9-8-16(12-21(20)27-4)15(3)24-23(26)19-10-17-6-5-7-18(11-19)22(17)25/h8-9,12,14-15,17-19H,5-7,10-11,13H2,1-4H3,(H,24,26)
InChIKeyHCLKQZLXUKBSGT-UHFFFAOYSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
1-ethylsulfonyl-N-[(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 51940554
(1S,5R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 26526461
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43007222
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16548243
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 51940488
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55637812
1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55637454
1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 55637704

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 42958521) is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is COc1cc(C(C)NC(=O)C2CC3CCCC(C2)C3=O)ccc1OCC(C)C.
What is the InChIKey of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HCLKQZLXUKBSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-14(2)13-28-20-9-8-16(12-21(20)27-4)15(3)24-23(26)19-10-17-6-5-7-18(11-19)22(17)25/h8-9,12,14-15,17-19H,5-7,10-11,13H2,1-4H3,(H,24,26).
What are the key properties of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 42958521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).