4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide

C14H24N4O2 — CID 61106654

IUPAC4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C14H24N4O2/c1-5-16-13(19)9-17(6-2)14(20)12-7-11(15)8-18(12)10(3)4/h7-8,10H,5-6,9,15H2,1-4H3,(H,16,19)
InChIKeyPDDSIKQNGQYVJL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.25
Rot. Bonds6

About 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61106654) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61106654
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C14H24N4O2/c1-5-16-13(19)9-17(6-2)14(20)12-7-11(15)8-18(12)10(3)4/h7-8,10H,5-6,9,15H2,1-4H3,(H,16,19)
InChIKeyPDDSIKQNGQYVJL-UHFFFAOYSA-N
XLogP1.25
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61115969
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428
4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643482
3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107585
4-amino-1-cyclopropyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-2-carboxamide
CID 61115970
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 61107299
2,4-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107401
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107733259
4-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 61116466
4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43643422

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 61106654) is 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide is CCNC(=O)CN(CC)C(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is PDDSIKQNGQYVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-16-13(19)9-17(6-2)14(20)12-7-11(15)8-18(12)10(3)4/h7-8,10H,5-6,9,15H2,1-4H3,(H,16,19).
What are the key properties of 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61106654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).