acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide

C22H30N2O5 — CID 67928404

IUPACacetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide
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)
InChIKeyGTEZHSPCTSBOBY-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.12
Rot. Bonds10

About acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide

acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide (PubChem CID 67928404) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Nameacetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide
PubChem CID67928404
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Nameacetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide
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)
InChIKeyGTEZHSPCTSBOBY-UHFFFAOYSA-N
XLogP3.12
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate
CID 19825209
4-(2-ethoxyethoxy)-N-(2-phenylethyl)benzamide
CID 17112545
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
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
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63075184
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119549073

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide?
The IUPAC name of acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide (CID 67928404) is acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide.
What is the SMILES notation for acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide?
The canonical SMILES for acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide is CC(=O)O.CCOCCOc1ccc(CCNC(=O)c2ncccc2CC)cc1.
What is the InChIKey of acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide?
The InChIKey is GTEZHSPCTSBOBY-UHFFFAOYSA-N. 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).
What are the key properties of acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide?
acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide is sourced from PubChem (CID 67928404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).