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

C22H31NO2 — CID 43007222

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C2CC3CCCC(C2)C3=O)cc1
InChIInChI=1S/C22H31NO2/c1-14(2)11-16-7-9-17(10-8-16)15(3)23-22(25)20-12-18-5-4-6-19(13-20)21(18)24/h7-10,14-15,18-20H,4-6,11-13H2,1-3H3,(H,23,25)
InChIKeyULLCYIXOOIBSQS-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.46
Rot. Bonds5

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

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 43007222) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID43007222
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C2CC3CCCC(C2)C3=O)cc1
InChIInChI=1S/C22H31NO2/c1-14(2)11-16-7-9-17(10-8-16)15(3)23-22(25)20-12-18-5-4-6-19(13-20)21(18)24/h7-10,14-15,18-20H,4-6,11-13H2,1-3H3,(H,23,25)
InChIKeyULLCYIXOOIBSQS-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16548243
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
(1S,5R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 26526461
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42958521
4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
CID 66238425
N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
CID 54936832
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187272
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267839
N-[2-[[N'-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111298621
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950718

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 43007222) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CC(C)Cc1ccc(C(C)NC(=O)C2CC3CCCC(C2)C3=O)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ULLCYIXOOIBSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-14(2)11-16-7-9-17(10-8-16)15(3)23-22(25)20-12-18-5-4-6-19(13-20)21(18)24/h7-10,14-15,18-20H,4-6,11-13H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 43007222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).