N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide

C14H16N2O3 — CID 54921802

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1C#CCO
InChIInChI=1S/C14H16N2O3/c1-2-15-13(18)10-16-14(19)12-8-4-3-6-11(12)7-5-9-17/h3-4,6,8,17H,2,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyYAXHNLAESZURGZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.10
Rot. Bonds4

About N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide

N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 54921802) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID54921802
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1C#CCO
InChIInChI=1S/C14H16N2O3/c1-2-15-13(18)10-16-14(19)12-8-4-3-6-11(12)7-5-9-17/h3-4,6,8,17H,2,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyYAXHNLAESZURGZ-UHFFFAOYSA-N
XLogP-0.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetic acid
CID 169485909
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816119
N-[2-(carbamoylamino)ethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 83115719
2-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106342056
methyl 2-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 54922071
2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide
CID 60903217
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114109304
2-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yloxybutyl)benzamide
CID 106005836
N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79982217
2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422353
2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 60903757

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide (CID 54921802) is N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide is CCNC(=O)CNC(=O)c1ccccc1C#CCO.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is YAXHNLAESZURGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-15-13(18)10-16-14(19)12-8-4-3-6-11(12)7-5-9-17/h3-4,6,8,17H,2,9-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide?
N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 260.29 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 54921802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).