N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide

C12H13NO3 — CID 154752881

IUPACN-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide
SMILESC#CCOc1cccc(C(=O)NCCO)c1
InChIInChI=1S/C12H13NO3/c1-2-8-16-11-5-3-4-10(9-11)12(15)13-6-7-14/h1,3-5,9,14H,6-8H2,(H,13,15)
InChIKeyCDLVBJJJYGUESF-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.42
Rot. Bonds5

About N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide

N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide (PubChem CID 154752881) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide
PubChem CID154752881
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide
SMILESC#CCOc1cccc(C(=O)NCCO)c1
InChIInChI=1S/C12H13NO3/c1-2-8-16-11-5-3-4-10(9-11)12(15)13-6-7-14/h1,3-5,9,14H,6-8H2,(H,13,15)
InChIKeyCDLVBJJJYGUESF-UHFFFAOYSA-N
XLogP0.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide
CID 86628961
3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111448156
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-[(2-chloroacetyl)amino]-N-(3-prop-2-ynoxyphenyl)benzamide
CID 146450953
N-(2-hydroxyethyl)-3-(1,2-oxazol-3-ylmethoxy)benzamide
CID 111448157
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
CID 78885620
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide (CID 154752881) is N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide is C#CCOc1cccc(C(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide?
The InChIKey is CDLVBJJJYGUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-8-16-11-5-3-4-10(9-11)12(15)13-6-7-14/h1,3-5,9,14H,6-8H2,(H,13,15).
What are the key properties of N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide?
N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide has a molecular weight of 219.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide is sourced from PubChem (CID 154752881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).