N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide

C16H18N2O2 — CID 115776195

IUPACN-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide
SMILESC=CCN(CCO)C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C16H18N2O2/c1-2-8-18(11-12-19)16(20)14-6-5-7-15(13-14)17-9-3-4-10-17/h2-7,9-10,13,19H,1,8,11-12H2
InChIKeyQFUQAEUYVUHTRT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.10
Rot. Bonds6

About N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide

N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide (PubChem CID 115776195) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide
PubChem CID115776195
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide
SMILESC=CCN(CCO)C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C16H18N2O2/c1-2-8-18(11-12-19)16(20)14-6-5-7-15(13-14)17-9-3-4-10-17/h2-7,9-10,13,19H,1,8,11-12H2
InChIKeyQFUQAEUYVUHTRT-UHFFFAOYSA-N
XLogP2.10
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 35154530
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140
N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide
CID 146087449
4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115924108
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 115775572
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
CID 111423290
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115776053
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide
CID 78784574

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide (CID 115776195) is N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide is C=CCN(CCO)C(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide?
The InChIKey is QFUQAEUYVUHTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-8-18(11-12-19)16(20)14-6-5-7-15(13-14)17-9-3-4-10-17/h2-7,9-10,13,19H,1,8,11-12H2.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide?
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 115776195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).