N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide

C12H15NO3 — CID 89411116

IUPACN-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(OCCCO)c1
InChIInChI=1S/C12H15NO3/c1-2-12(15)13-10-5-3-6-11(9-10)16-8-4-7-14/h2-3,5-6,9,14H,1,4,7-8H2,(H,13,15)
InChIKeyLZHNBQLYVPKKOT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.57
Rot. Bonds6

About N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide

N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide (PubChem CID 89411116) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide
PubChem CID89411116
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(OCCCO)c1
InChIInChI=1S/C12H15NO3/c1-2-12(15)13-10-5-3-6-11(9-10)16-8-4-7-14/h2-3,5-6,9,14H,1,4,7-8H2,(H,13,15)
InChIKeyLZHNBQLYVPKKOT-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
N-[3-[[2-(3-butoxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 148718366
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride
CID 130015965
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
(3-hexoxyphenyl)urea
CID 102387253
N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 142433214
(E)-N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 135337273
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
N-[3-(2,2-difluoroethoxy)phenyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422007
3-[3-(3-aminopropylamino)phenoxy]propan-1-ol
CID 117097601

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide (CID 89411116) is N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(OCCCO)c1.
What is the InChIKey of N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide?
The InChIKey is LZHNBQLYVPKKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-12(15)13-10-5-3-6-11(9-10)16-8-4-7-14/h2-3,5-6,9,14H,1,4,7-8H2,(H,13,15).
What are the key properties of N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide?
N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 89411116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).