N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid

C16H25NO4 — CID 173177567

IUPACN,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
SMILESCCN(CC)CC.CO/C(=C\c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H10O4.C6H15N/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;1-4-7(5-2)6-3/h2-6,11H,1H3,(H,12,13);4-6H2,1-3H3/b9-6-;
InChIKeyOHUCAGJLFYSGKB-BORNJIKYSA-N
MW295.38 g/mol
LogP2.81
Rot. Bonds6

About N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid

N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid (PubChem CID 173177567) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
PubChem CID173177567
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
SMILESCCN(CC)CC.CO/C(=C\c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H10O4.C6H15N/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;1-4-7(5-2)6-3/h2-6,11H,1H3,(H,12,13);4-6H2,1-3H3/b9-6-;
InChIKeyOHUCAGJLFYSGKB-BORNJIKYSA-N
XLogP2.81
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)
CID 87864699
ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177701
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177562
methanamine;2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177580
(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
CID 46232496
3-(4-acetylphenyl)-2-ethoxyprop-2-enoic acid
CID 139651231
2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid;N-propan-2-ylpropan-2-amine
CID 173177587

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid?
The IUPAC name of N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid (CID 173177567) is N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid.
What is the SMILES notation for N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid?
The canonical SMILES for N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid is CCN(CC)CC.CO/C(=C\c1ccc(O)cc1)C(=O)O.
What is the InChIKey of N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid?
The InChIKey is OHUCAGJLFYSGKB-BORNJIKYSA-N. The full InChI is InChI=1S/C10H10O4.C6H15N/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;1-4-7(5-2)6-3/h2-6,11H,1H3,(H,12,13);4-6H2,1-3H3/b9-6-;.
What are the key properties of N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid?
N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid is sourced from PubChem (CID 173177567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).