N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C21H30N2O2 — CID 43010945

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCN(c1ccc(NC(=O)C2CC3CCCC(C2)C3=O)cc1)C(C)C
InChIInChI=1S/C21H30N2O2/c1-4-23(14(2)3)19-10-8-18(9-11-19)22-21(25)17-12-15-6-5-7-16(13-17)20(15)24/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,22,25)
InChIKeyROLPJJXJYPBMDM-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.26
Rot. Bonds5

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 43010945) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID43010945
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCN(c1ccc(NC(=O)C2CC3CCCC(C2)C3=O)cc1)C(C)C
InChIInChI=1S/C21H30N2O2/c1-4-23(14(2)3)19-10-8-18(9-11-19)22-21(25)17-12-15-6-5-7-16(13-17)20(15)24/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,22,25)
InChIKeyROLPJJXJYPBMDM-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

(1R,5R)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802951
(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802950
N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46586044
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
CID 103813229
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42999583
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
(1S,5S)-N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50938320
tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate
CID 46560459
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42989954
2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 78825041

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 43010945) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CCN(c1ccc(NC(=O)C2CC3CCCC(C2)C3=O)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ROLPJJXJYPBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-4-23(14(2)3)19-10-8-18(9-11-19)22-21(25)17-12-15-6-5-7-16(13-17)20(15)24/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 43010945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).