N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide

C17H24N2O — CID 62102464

IUPACN-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
SMILESCCN(C(=O)CC1CC2CCC1C2)c1ccccc1N
InChIInChI=1S/C17H24N2O/c1-2-19(16-6-4-3-5-15(16)18)17(20)11-14-10-12-7-8-13(14)9-12/h3-6,12-14H,2,7-11,18H2,1H3
InChIKeyDGZZMANPOWKTBS-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.45
Rot. Bonds4

About N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide

N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide (PubChem CID 62102464) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
PubChem CID62102464
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
SMILESCCN(C(=O)CC1CC2CCC1C2)c1ccccc1N
InChIInChI=1S/C17H24N2O/c1-2-19(16-6-4-3-5-15(16)18)17(20)11-14-10-12-7-8-13(14)9-12/h3-6,12-14H,2,7-11,18H2,1H3
InChIKeyDGZZMANPOWKTBS-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid
CID 79552154
N-(2-aminophenyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65157069
N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
CID 43458967
N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
CID 21174649
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
N-(2-aminophenyl)-N-ethyl-2-(2-methylphenyl)acetamide
CID 62100818
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 18557353
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107736090
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)acetamide
CID 98494262

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide?
The IUPAC name of N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide (CID 62102464) is N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide is CCN(C(=O)CC1CC2CCC1C2)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide?
The InChIKey is DGZZMANPOWKTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-19(16-6-4-3-5-15(16)18)17(20)11-14-10-12-7-8-13(14)9-12/h3-6,12-14H,2,7-11,18H2,1H3.
What are the key properties of N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide?
N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide has a molecular weight of 272.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide is sourced from PubChem (CID 62102464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).