4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide

C13H23N3O — CID 43643428

IUPAC4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C13H23N3O/c1-5-7-15(6-2)13(17)12-8-11(14)9-16(12)10(3)4/h8-10H,5-7,14H2,1-4H3
InChIKeyXCMYWAKMRCSBRE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.52
Rot. Bonds5

About 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide

4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide (PubChem CID 43643428) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
PubChem CID43643428
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C13H23N3O/c1-5-7-15(6-2)13(17)12-8-11(14)9-16(12)10(3)4/h8-10H,5-7,14H2,1-4H3
InChIKeyXCMYWAKMRCSBRE-UHFFFAOYSA-N
XLogP2.52
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
CID 43643434
N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612110
4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61106654
4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61115969
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643482
4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 61107299
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
CID 61105245
4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107733259
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 55003688
4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233626

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide (CID 43643428) is 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide is CCCN(CC)C(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide?
The InChIKey is XCMYWAKMRCSBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-15(6-2)13(17)12-8-11(14)9-16(12)10(3)4/h8-10H,5-7,14H2,1-4H3.
What are the key properties of 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide?
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43643428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).