N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

C14H23N3O3 — CID 58100367

IUPACN-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CCO)CCNC(=O)c1c(C)[nH]c(C=O)c1C
InChIInChI=1S/C14H23N3O3/c1-4-17(7-8-18)6-5-15-14(20)13-10(2)12(9-19)16-11(13)3/h9,16,18H,4-8H2,1-3H3,(H,15,20)
InChIKeyKBICKZFLYWBJDR-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.49
Rot. Bonds8

About N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 58100367) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID58100367
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CCO)CCNC(=O)c1c(C)[nH]c(C=O)c1C
InChIInChI=1S/C14H23N3O3/c1-4-17(7-8-18)6-5-15-14(20)13-10(2)12(9-19)16-11(13)3/h9,16,18H,4-8H2,1-3H3,(H,15,20)
InChIKeyKBICKZFLYWBJDR-UHFFFAOYSA-N
XLogP0.49
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 58100367) is N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CCO)CCNC(=O)c1c(C)[nH]c(C=O)c1C.
What is the InChIKey of N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is KBICKZFLYWBJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-17(7-8-18)6-5-15-14(20)13-10(2)12(9-19)16-11(13)3/h9,16,18H,4-8H2,1-3H3,(H,15,20).
What are the key properties of N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 58100367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).