2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide

C16H22N2O3 — CID 43114050

IUPAC2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C16H22N2O3/c1-5-10-17-16(19)12(4)18-14-11-13(20-6-2)8-9-15(14)21-7-3/h1,8-9,11-12,18H,6-7,10H2,2-4H3,(H,17,19)
InChIKeyJEJOBCKYSIBUKG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.03
Rot. Bonds8

About 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide

2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide (PubChem CID 43114050) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide
PubChem CID43114050
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C16H22N2O3/c1-5-10-17-16(19)12(4)18-14-11-13(20-6-2)8-9-15(14)21-7-3/h1,8-9,11-12,18H,6-7,10H2,2-4H3,(H,17,19)
InChIKeyJEJOBCKYSIBUKG-UHFFFAOYSA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-diethoxyanilino)-N-ethylpropanamide
CID 43088911
(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
CID 94104980
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 79518987
2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid
CID 61454221
2-(2-chloroanilino)-N-prop-2-ynylpropanamide
CID 43113364
2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115928387
2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide
CID 43113383
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
2-(2,5-dibromoanilino)-N-prop-2-ynylpropanamide
CID 54955276
2,5-diethoxy-N-hexan-2-ylaniline
CID 43759242

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide (CID 43114050) is 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Nc1cc(OCC)ccc1OCC.
What is the InChIKey of 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide?
The InChIKey is JEJOBCKYSIBUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-10-17-16(19)12(4)18-14-11-13(20-6-2)8-9-15(14)21-7-3/h1,8-9,11-12,18H,6-7,10H2,2-4H3,(H,17,19).
What are the key properties of 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide?
2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43114050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).