N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide

C15H19NO3 — CID 101380942

IUPACN-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide
SMILESC=CC(=O)N(CCC(=O)CC)c1ccc(OC)cc1
InChIInChI=1S/C15H19NO3/c1-4-13(17)10-11-16(15(18)5-2)12-6-8-14(19-3)9-7-12/h5-9H,2,4,10-11H2,1,3H3
InChIKeyGMOQYFDTOSPITR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.58
Rot. Bonds7

About N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide

N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide (PubChem CID 101380942) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide
PubChem CID101380942
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide
SMILESC=CC(=O)N(CCC(=O)CC)c1ccc(OC)cc1
InChIInChI=1S/C15H19NO3/c1-4-13(17)10-11-16(15(18)5-2)12-6-8-14(19-3)9-7-12/h5-9H,2,4,10-11H2,1,3H3
InChIKeyGMOQYFDTOSPITR-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide
CID 146106049
N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide
CID 101380965
N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 177034589
1,4-dimethoxybenzene;octan-3-one
CID 174621330
methyl N-(4-methoxyphenyl)-N-pent-4-enylcarbamate
CID 71344369
3-(N-carbamothioyl-4-methoxyanilino)propanoic acid
CID 119090131
N-(4-methoxyphenyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]prop-2-enamide
CID 166415354
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-butyl-N-phenylprop-2-enamide
CID 43619884
2-chloro-N-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981
[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate
CID 58876576
2-(3,4-dimethoxy-N-prop-2-enoylanilino)acetic acid
CID 125473237

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide (CID 101380942) is N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide is C=CC(=O)N(CCC(=O)CC)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide?
The InChIKey is GMOQYFDTOSPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-13(17)10-11-16(15(18)5-2)12-6-8-14(19-3)9-7-12/h5-9H,2,4,10-11H2,1,3H3.
What are the key properties of N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide?
N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide is sourced from PubChem (CID 101380942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).