3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide

C20H24N2O2 — CID 119694948

IUPAC3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H24N2O2/c21-19-16-6-5-15(11-16)18(19)20(23)22-9-10-24-17-8-7-13-3-1-2-4-14(13)12-17/h1-4,7-8,12,15-16,18-19H,5-6,9-11,21H2,(H,22,23)
InChIKeyRFJAKKDEDJQXLA-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.71
Rot. Bonds5

About 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119694948) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119694948
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H24N2O2/c21-19-16-6-5-15(11-16)18(19)20(23)22-9-10-24-17-8-7-13-3-1-2-4-14(13)12-17/h1-4,7-8,12,15-16,18-19H,5-6,9-11,21H2,(H,22,23)
InChIKeyRFJAKKDEDJQXLA-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722507
methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride
CID 119786318
3-amino-N-[2-[(3-bromobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119765632
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119785792
3-amino-N-[2-[(3-bromobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119765631
(2R,3S)-2-methyl-N-(2-naphthalen-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 26037093
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 82942435
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010
3-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119778877

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119694948) is 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCCOc1ccc2ccccc2c1.
What is the InChIKey of 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RFJAKKDEDJQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-19-16-6-5-15(11-16)18(19)20(23)22-9-10-24-17-8-7-13-3-1-2-4-14(13)12-17/h1-4,7-8,12,15-16,18-19H,5-6,9-11,21H2,(H,22,23).
What are the key properties of 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119694948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).