N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide

C16H20N2O2 — CID 31115490

IUPACN-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C)n1C
InChIInChI=1S/C16H20N2O2/c1-12-8-9-14(18(12)2)16(19)17-11-10-13-6-4-5-7-15(13)20-3/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyTULOVVKEDRHBSO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 31115490) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID31115490
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C)n1C
InChIInChI=1S/C16H20N2O2/c1-12-8-9-14(18(12)2)16(19)17-11-10-13-6-4-5-7-15(13)20-3/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyTULOVVKEDRHBSO-UHFFFAOYSA-N
XLogP2.31
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110791950
3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110641432
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-[2-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261354
N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705225

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide (CID 31115490) is N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide is COc1ccccc1CCNC(=O)c1ccc(C)n1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is TULOVVKEDRHBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-8-9-14(18(12)2)16(19)17-11-10-13-6-4-5-7-15(13)20-3/h4-9H,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 31115490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).