4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

C21H28N2O4 — CID 8533676

IUPAC4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCCCOc1ccc([C@H](C)NC(=O)c2cc(C(C)=O)c[nH]2)cc1OCCC
InChIInChI=1S/C21H28N2O4/c1-5-9-26-19-8-7-16(12-20(19)27-10-6-2)14(3)23-21(25)18-11-17(13-22-18)15(4)24/h7-8,11-14,22H,5-6,9-10H2,1-4H3,(H,23,25)/t14-/m0/s1
InChIKeyWUOGOLUBFGYEAP-AWEZNQCLSA-N
MW372.47 g/mol
LogP4.29
Rot. Bonds10

About 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 8533676) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID8533676
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCCCOc1ccc([C@H](C)NC(=O)c2cc(C(C)=O)c[nH]2)cc1OCCC
InChIInChI=1S/C21H28N2O4/c1-5-9-26-19-8-7-16(12-20(19)27-10-6-2)14(3)23-21(25)18-11-17(13-22-18)15(4)24/h7-8,11-14,22H,5-6,9-10H2,1-4H3,(H,23,25)/t14-/m0/s1
InChIKeyWUOGOLUBFGYEAP-AWEZNQCLSA-N
XLogP4.29
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 18118337
4-acetyl-N-[1-(3,4-dipropoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 46653449
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 43017375
4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
CID 46415953
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 18163101
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-nitrobenzamide
CID 46657865
N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46421231
4-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-3-nitrobenzamide
CID 43017364
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51961966

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 8533676) is 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is CCCOc1ccc([C@H](C)NC(=O)c2cc(C(C)=O)c[nH]2)cc1OCCC.
What is the InChIKey of 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WUOGOLUBFGYEAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-5-9-26-19-8-7-16(12-20(19)27-10-6-2)14(3)23-21(25)18-11-17(13-22-18)15(4)24/h7-8,11-14,22H,5-6,9-10H2,1-4H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8533676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).