N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C25H28N2O4 — CID 42989954

IUPACN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC4CCCC(C3)C4=O)cc2)cc1
InChIInChI=1S/C25H28N2O4/c1-2-31-22-12-10-21(11-13-22)26-24(29)16-6-8-20(9-7-16)27-25(30)19-14-17-4-3-5-18(15-19)23(17)28/h6-13,17-19H,2-5,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKeyNOZYLHLKQHCBDR-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.67
Rot. Bonds6

About N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 42989954) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID42989954
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC4CCCC(C3)C4=O)cc2)cc1
InChIInChI=1S/C25H28N2O4/c1-2-31-22-12-10-21(11-13-22)26-24(29)16-6-8-20(9-7-16)27-25(30)19-14-17-4-3-5-18(15-19)23(17)28/h6-13,17-19H,2-5,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKeyNOZYLHLKQHCBDR-UHFFFAOYSA-N
XLogP4.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802950
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 2969703
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
trans-(1R,2R)-2-[4-[4-[(4-ethoxybenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 11983467
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43010945

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 42989954) is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC4CCCC(C3)C4=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is NOZYLHLKQHCBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-2-31-22-12-10-21(11-13-22)26-24(29)16-6-8-20(9-7-16)27-25(30)19-14-17-4-3-5-18(15-19)23(17)28/h6-13,17-19H,2-5,14-15H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 42989954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).