N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate

C22H29N2O5- — CID 19825209

IUPACN-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate
SMILESCC(=O)[O-].CCOCCOc1ccc(CCNC(=O)c2ncccc2CC)cc1
InChIInChI=1S/C20H26N2O3.C2H4O2/c1-3-17-6-5-12-21-19(17)20(23)22-13-11-16-7-9-18(10-8-16)25-15-14-24-4-2;1-2(3)4/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,22,23);1H3,(H,3,4)/p-1
InChIKeyGTEZHSPCTSBOBY-UHFFFAOYSA-M
MW401.48 g/mol
LogP1.79
Rot. Bonds10

About N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate

N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate (PubChem CID 19825209) has the molecular formula C22H29N2O5- and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate.

Molecular Properties

Compound NameN-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate
PubChem CID19825209
Molecular FormulaC22H29N2O5-
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC NameN-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate
SMILESCC(=O)[O-].CCOCCOc1ccc(CCNC(=O)c2ncccc2CC)cc1
InChIInChI=1S/C20H26N2O3.C2H4O2/c1-3-17-6-5-12-21-19(17)20(23)22-13-11-16-7-9-18(10-8-16)25-15-14-24-4-2;1-2(3)4/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,22,23);1H3,(H,3,4)/p-1
InChIKeyGTEZHSPCTSBOBY-UHFFFAOYSA-M
XLogP1.79
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide
CID 67928404
4-(2-ethoxyethoxy)-N-(2-phenylethyl)benzamide
CID 17112545
ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate
CID 67928368
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylcarbamic acid
CID 135240470
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119549073
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate?
The IUPAC name of N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate (CID 19825209) is N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate.
What is the SMILES notation for N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate?
The canonical SMILES for N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate is CC(=O)[O-].CCOCCOc1ccc(CCNC(=O)c2ncccc2CC)cc1.
What is the InChIKey of N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate?
The InChIKey is GTEZHSPCTSBOBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H26N2O3.C2H4O2/c1-3-17-6-5-12-21-19(17)20(23)22-13-11-16-7-9-18(10-8-16)25-15-14-24-4-2;1-2(3)4/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,22,23);1H3,(H,3,4)/p-1.
What are the key properties of N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate?
N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate has a molecular weight of 401.48 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate is sourced from PubChem (CID 19825209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).