N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide

C19H33N3O2 — CID 86586211

IUPACN-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(C(C)C)[nH]c(C=O)c1C(C)C
InChIInChI=1S/C19H33N3O2/c1-7-22(8-2)11-9-10-20-19(24)17-16(13(3)4)15(12-23)21-18(17)14(5)6/h12-14,21H,7-11H2,1-6H3,(H,20,24)
InChIKeyZGIQBJUDHRMBBA-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.54
Rot. Bonds10

About N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide

N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 86586211) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID86586211
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(C(C)C)[nH]c(C=O)c1C(C)C
InChIInChI=1S/C19H33N3O2/c1-7-22(8-2)11-9-10-20-19(24)17-16(13(3)4)15(12-23)21-18(17)14(5)6/h12-14,21H,7-11H2,1-6H3,(H,20,24)
InChIKeyZGIQBJUDHRMBBA-UHFFFAOYSA-N
XLogP3.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(diethylamino)propyl]-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide
CID 67281072
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 58100367
N-[3-(diethylamino)propyl]-4-oxobutanamide
CID 87316109
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 54733002
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040308
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide (CID 86586211) is N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide is CCN(CC)CCCNC(=O)c1c(C(C)C)[nH]c(C=O)c1C(C)C.
What is the InChIKey of N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is ZGIQBJUDHRMBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-7-22(8-2)11-9-10-20-19(24)17-16(13(3)4)15(12-23)21-18(17)14(5)6/h12-14,21H,7-11H2,1-6H3,(H,20,24).
What are the key properties of N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide?
N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-5-formyl-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 86586211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).