N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide

C14H18N2O3 — CID 3325031

IUPACN'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H18N2O3/c1-3-10-15-13(17)8-9-14(18)16-11-4-6-12(19-2)7-5-11/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18)
InChIKeyYDXRWIAHWUBCGV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.72
Rot. Bonds7

About N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide

N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide (PubChem CID 3325031) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
PubChem CID3325031
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H18N2O3/c1-3-10-15-13(17)8-9-14(18)16-11-4-6-12(19-2)7-5-11/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18)
InChIKeyYDXRWIAHWUBCGV-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxyphenyl)-N-prop-2-enyloxamide
CID 3102348
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55470324
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide?
The IUPAC name of N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide (CID 3325031) is N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide?
The canonical SMILES for N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide is C=CCNC(=O)CCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide?
The InChIKey is YDXRWIAHWUBCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-10-15-13(17)8-9-14(18)16-11-4-6-12(19-2)7-5-11/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide?
N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide has a molecular weight of 262.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide is sourced from PubChem (CID 3325031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).