4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C16H21N3O2 — CID 107733259

IUPAC4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(N)cn1C(C)C)c1cccc(O)c1
InChIInChI=1S/C16H21N3O2/c1-4-18(13-6-5-7-14(20)9-13)16(21)15-8-12(17)10-19(15)11(2)3/h5-11,20H,4,17H2,1-3H3
InChIKeyVSHRADRAMYSYOQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.02
Rot. Bonds4

About 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 107733259) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID107733259
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(N)cn1C(C)C)c1cccc(O)c1
InChIInChI=1S/C16H21N3O2/c1-4-18(13-6-5-7-14(20)9-13)16(21)15-8-12(17)10-19(15)11(2)3/h5-11,20H,4,17H2,1-3H3
InChIKeyVSHRADRAMYSYOQ-UHFFFAOYSA-N
XLogP3.02
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107733315
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107733294
2-(5-amino-2-pyridinyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107735033
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428
4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
CID 43643434
4-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 61116466
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 61107299

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 107733259) is 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is CCN(C(=O)c1cc(N)cn1C(C)C)c1cccc(O)c1.
What is the InChIKey of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is VSHRADRAMYSYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-18(13-6-5-7-14(20)9-13)16(21)15-8-12(17)10-19(15)11(2)3/h5-11,20H,4,17H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-ethyl-N-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.02, 4 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-(3-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 107733259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).