2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride

C23H34ClN3O3 — CID 14306926

IUPAC2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride
SMILESC=CCc1cc(C)ccc1OCC(=O)NCCNC(=O)C1=CC(C)(C)NC1(C)C.Cl
InChIInChI=1S/C23H33N3O3.ClH/c1-7-8-17-13-16(2)9-10-19(17)29-15-20(27)24-11-12-25-21(28)18-14-22(3,4)26-23(18,5)6;/h7,9-10,13-14,26H,1,8,11-12,15H2,2-6H3,(H,24,27)(H,25,28);1H
InChIKeyXQPOGMPSBLZLDO-UHFFFAOYSA-N
MW436.00 g/mol
LogP2.84
Rot. Bonds9

About 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride

2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 14306926) has the molecular formula C23H34ClN3O3 and a molecular weight of 436.00 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID14306926
Molecular FormulaC23H34ClN3O3
Molecular Weight436.00 g/mol
Exact Mass435.23
IUPAC Name2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride
SMILESC=CCc1cc(C)ccc1OCC(=O)NCCNC(=O)C1=CC(C)(C)NC1(C)C.Cl
InChIInChI=1S/C23H33N3O3.ClH/c1-7-8-17-13-16(2)9-10-19(17)29-15-20(27)24-11-12-25-21(28)18-14-22(3,4)26-23(18,5)6;/h7,9-10,13-14,26H,1,8,11-12,15H2,2-6H3,(H,24,27)(H,25,28);1H
InChIKeyXQPOGMPSBLZLDO-UHFFFAOYSA-N
XLogP2.84
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-4-methylphenoxy]-N-propylacetamide
CID 63322563
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 63324753
N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 14306921
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 33105392
prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108571580
N-(2-methoxyethyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 2072678
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
CID 34992949
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide
CID 8959522
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide
CID 55203033
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride (CID 14306926) is 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride is C=CCc1cc(C)ccc1OCC(=O)NCCNC(=O)C1=CC(C)(C)NC1(C)C.Cl.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is XQPOGMPSBLZLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3.ClH/c1-7-8-17-13-16(2)9-10-19(17)29-15-20(27)24-11-12-25-21(28)18-14-22(3,4)26-23(18,5)6;/h7,9-10,13-14,26H,1,8,11-12,15H2,2-6H3,(H,24,27)(H,25,28);1H.
What are the key properties of 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride?
2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 436.00 g/mol, XLogP of 2.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 14306926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).