4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide

C20H24N2O4 — CID 47066120

IUPAC4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(COCC3CCCCO3)c2)c1
InChIInChI=1S/C20H24N2O4/c1-14(23)16-10-19(21-11-16)20(24)22-17-6-4-5-15(9-17)12-25-13-18-7-2-3-8-26-18/h4-6,9-11,18,21H,2-3,7-8,12-13H2,1H3,(H,22,24)
InChIKeyAXUBYYAHTIKZJW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.56
Rot. Bonds7

About 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 47066120) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID47066120
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(COCC3CCCCO3)c2)c1
InChIInChI=1S/C20H24N2O4/c1-14(23)16-10-19(21-11-16)20(24)22-17-6-4-5-15(9-17)12-25-13-18-7-2-3-8-26-18/h4-6,9-11,18,21H,2-3,7-8,12-13H2,1H3,(H,22,24)
InChIKeyAXUBYYAHTIKZJW-UHFFFAOYSA-N
XLogP3.56
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55932192
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55932193
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55807172
N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 71893064
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 47066120) is 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2cccc(COCC3CCCCO3)c2)c1.
What is the InChIKey of 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is AXUBYYAHTIKZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(23)16-10-19(21-11-16)20(24)22-17-6-4-5-15(9-17)12-25-13-18-7-2-3-8-26-18/h4-6,9-11,18,21H,2-3,7-8,12-13H2,1H3,(H,22,24).
What are the key properties of 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47066120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).