4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

C16H19N3O2 — CID 61114285

IUPAC4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2cc(N)c[nH]2)cc1
InChIInChI=1S/C16H19N3O2/c1-3-8-21-14-6-4-12(5-7-14)11-19(2)16(20)15-9-13(17)10-18-15/h3-7,9-10,18H,1,8,11,17H2,2H3
InChIKeyMMPWONOBWGEHRZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.43
Rot. Bonds6

About 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 61114285) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID61114285
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2cc(N)c[nH]2)cc1
InChIInChI=1S/C16H19N3O2/c1-3-8-21-14-6-4-12(5-7-14)11-19(2)16(20)15-9-13(17)10-18-15/h3-7,9-10,18H,1,8,11,17H2,2H3
InChIKeyMMPWONOBWGEHRZ-UHFFFAOYSA-N
XLogP2.43
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46577740
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 35688068
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 61139584
4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61107986
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 61118099
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
4-bromo-3,5-dimethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090762
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
CID 79805127
(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 103793972

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 61114285) is 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is C=CCOc1ccc(CN(C)C(=O)c2cc(N)c[nH]2)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MMPWONOBWGEHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-8-21-14-6-4-12(5-7-14)11-19(2)16(20)15-9-13(17)10-18-15/h3-7,9-10,18H,1,8,11,17H2,2H3.
What are the key properties of 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61114285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).