2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide

C16H20N2O3 — CID 95982468

IUPAC2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@@H](O)c1cccn1C
InChIInChI=1S/C16H20N2O3/c1-3-21-15-9-5-4-7-12(15)16(20)17-11-14(19)13-8-6-10-18(13)2/h4-10,14,19H,3,11H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyKYMJJZPEPRJVDZ-CQSZACIVSA-N
MW288.35 g/mol
LogP1.89
Rot. Bonds6

About 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide

2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide (PubChem CID 95982468) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
PubChem CID95982468
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@@H](O)c1cccn1C
InChIInChI=1S/C16H20N2O3/c1-3-21-15-9-5-4-7-12(15)16(20)17-11-14(19)13-8-6-10-18(13)2/h4-10,14,19H,3,11H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyKYMJJZPEPRJVDZ-CQSZACIVSA-N
XLogP1.89
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
CID 90496202
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide
CID 99873612
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 90496212
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
CID 106288292
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 71781584
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 71781600
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 71804415
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide (CID 95982468) is 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide is CCOc1ccccc1C(=O)NC[C@@H](O)c1cccn1C.
What is the InChIKey of 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The InChIKey is KYMJJZPEPRJVDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-21-15-9-5-4-7-12(15)16(20)17-11-14(19)13-8-6-10-18(13)2/h4-10,14,19H,3,11H2,1-2H3,(H,17,20)/t14-/m1/s1.
What are the key properties of 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide is sourced from PubChem (CID 95982468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).