N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide

C13H15NO3 — CID 78971160

IUPACN-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(CC)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C13H15NO3/c1-4-8-14(5-2)13(16)11-9-10(17-3)6-7-12(11)15/h1,6-7,9,15H,5,8H2,2-3H3
InChIKeyPNVUMPYDTSPTGZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.50
Rot. Bonds4

About N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide

N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide (PubChem CID 78971160) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide
PubChem CID78971160
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(CC)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C13H15NO3/c1-4-8-14(5-2)13(16)11-9-10(17-3)6-7-12(11)15/h1,6-7,9,15H,5,8H2,2-3H3
InChIKeyPNVUMPYDTSPTGZ-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
N-ethyl-2-hydroxy-5-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 54949018
N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide
CID 115532759
2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid
CID 107424156
N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 80662499
2-[(2,4-dimethoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79279574
N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
CID 60715659
4-methoxy-N,N-bis(prop-2-ynyl)benzamide
CID 117063834
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 60779447
N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 61351225
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide?
The IUPAC name of N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide (CID 78971160) is N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide?
The canonical SMILES for N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide is C#CCN(CC)C(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide?
The InChIKey is PNVUMPYDTSPTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-8-14(5-2)13(16)11-9-10(17-3)6-7-12(11)15/h1,6-7,9,15H,5,8H2,2-3H3.
What are the key properties of N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide?
N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide is sourced from PubChem (CID 78971160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).