3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide

C16H25N3O2 — CID 42789533

IUPAC3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCn1c(C)cc(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-4-6-19-14(3)12-13(2)15(19)16(20)17-5-7-18-8-10-21-11-9-18/h4,12H,1,5-11H2,2-3H3,(H,17,20)
InChIKeyWHGVSCMHTXOCQK-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.35
Rot. Bonds6

About 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide

3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide (PubChem CID 42789533) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide
PubChem CID42789533
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCn1c(C)cc(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-4-6-19-14(3)12-13(2)15(19)16(20)17-5-7-18-8-10-21-11-9-18/h4,12H,1,5-11H2,2-3H3,(H,17,20)
InChIKeyWHGVSCMHTXOCQK-UHFFFAOYSA-N
XLogP1.35
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848667
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959024
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110770137
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide (CID 42789533) is 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide is C=CCn1c(C)cc(C)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide?
The InChIKey is WHGVSCMHTXOCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-6-19-14(3)12-13(2)15(19)16(20)17-5-7-18-8-10-21-11-9-18/h4,12H,1,5-11H2,2-3H3,(H,17,20).
What are the key properties of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide?
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide is sourced from PubChem (CID 42789533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).