N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide

C15H21NO3 — CID 176654258

IUPACN,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(CCCO)CCCO
InChIInChI=1S/C15H21NO3/c17-12-4-10-16(11-5-13-18)15(19)9-8-14-6-2-1-3-7-14/h1-3,6-9,17-18H,4-5,10-13H2
InChIKeyYPPXLOSCOICAAT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.29
Rot. Bonds8

About N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide

N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide (PubChem CID 176654258) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
PubChem CID176654258
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(CCCO)CCCO
InChIInChI=1S/C15H21NO3/c17-12-4-10-16(11-5-13-18)15(19)9-8-14-6-2-1-3-7-14/h1-3,6-9,17-18H,4-5,10-13H2
InChIKeyYPPXLOSCOICAAT-UHFFFAOYSA-N
XLogP1.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-N-[4-[3-aminopropyl(3-phenylprop-2-enoyl)amino]butyl]-3-phenylprop-2-enamide
CID 85302044
3-[3-(dimethylamino)propyl-[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 82325965
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]-3-phenylprop-2-enamide
CID 171647487
(E)-3-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)prop-2-enamide
CID 115771892
N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide
CID 57194236
3-(4-bromophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61233441
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 115771272
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
CID 103802756
3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61234524

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide?
The IUPAC name of N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide (CID 176654258) is N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide?
The canonical SMILES for N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)N(CCCO)CCCO.
What is the InChIKey of N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide?
The InChIKey is YPPXLOSCOICAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-12-4-10-16(11-5-13-18)15(19)9-8-14-6-2-1-3-7-14/h1-3,6-9,17-18H,4-5,10-13H2.
What are the key properties of N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide?
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 176654258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).