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

piperidino[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472874
4-Pyridinecarboxamide, N,N-bis(2-hydroxyethyl)-
CID 116925
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one
CID 3012797
N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-3-pyrrol-1-yl-benzamide
CID 25102417
(4-methylpiperazino)[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472878
(4-benzylpiperazino)[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472879
N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide
CID 3660422
3-(2-oxo-1-pyrrolidinyl)-N'-[1-(4-pyridinyl)ethylidene]benzohydrazide
CID 5331712
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17449866
N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-3-(1-pyrrolyl)benzamide
CID 24686892
N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-(1-pyrrolyl)benzamide
CID 24979630
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(1-pyrrolyl)benzamide
CID 24980740

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).