N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide

C21H30N2O3 — CID 56539794

IUPACN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide
SMILESCC(NC(=O)CONC(=O)C(C)(C)c1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C21H30N2O3/c1-14(18-12-15-9-10-16(18)11-15)22-19(24)13-26-23-20(25)21(2,3)17-7-5-4-6-8-17/h4-8,14-16,18H,9-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPHHBJFMBSWQARA-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.95
Rot. Bonds7

About N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide

N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide (PubChem CID 56539794) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide
PubChem CID56539794
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide
SMILESCC(NC(=O)CONC(=O)C(C)(C)c1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C21H30N2O3/c1-14(18-12-15-9-10-16(18)11-15)22-19(24)13-26-23-20(25)21(2,3)17-7-5-4-6-8-17/h4-8,14-16,18H,9-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPHHBJFMBSWQARA-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide
CID 98724622
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 4287753
2-[2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 98688995
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 98292307
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 4199382
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 24698326
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-chlorophenoxy)acetamide
CID 98408218

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide (CID 56539794) is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide is CC(NC(=O)CONC(=O)C(C)(C)c1ccccc1)C1CC2CCC1C2.
What is the InChIKey of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide?
The InChIKey is PHHBJFMBSWQARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14(18-12-15-9-10-16(18)11-15)22-19(24)13-26-23-20(25)21(2,3)17-7-5-4-6-8-17/h4-8,14-16,18H,9-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide?
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide has a molecular weight of 358.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 56539794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).