N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide

C15H21NO4 — CID 76911057

IUPACN-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOCC(O)CN(C)C(=O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-16(10-13(17)11-19-2)15(18)9-6-12-4-7-14(20-3)8-5-12/h4-9,13,17H,10-11H2,1-3H3
InChIKeySGHAXMZGOUJVAD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.17
Rot. Bonds7

About N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide

N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 76911057) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID76911057
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOCC(O)CN(C)C(=O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-16(10-13(17)11-19-2)15(18)9-6-12-4-7-14(20-3)8-5-12/h4-9,13,17H,10-11H2,1-3H3
InChIKeySGHAXMZGOUJVAD-UHFFFAOYSA-N
XLogP1.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 76911218
3-(1,3-benzodioxol-5-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylprop-2-enamide
CID 76911058
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 2938328
N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 162878387
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60830331
(E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 115759757
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide
CID 146661377
(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 66561051
3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
CID 95972002

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide (CID 76911057) is N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide is COCC(O)CN(C)C(=O)C=Cc1ccc(OC)cc1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is SGHAXMZGOUJVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-16(10-13(17)11-19-2)15(18)9-6-12-4-7-14(20-3)8-5-12/h4-9,13,17H,10-11H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 76911057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).