N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride

C22H33Cl2N3O3 — CID 14306915

IUPACN-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCC1(C)C=C(C(=O)NCCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)N1.Cl
InChIInChI=1S/C22H32ClN3O3.ClH/c1-20(2)14-17(21(3,4)26-20)18(27)24-12-7-13-25-19(28)22(5,6)29-16-10-8-15(23)9-11-16;/h8-11,14,26H,7,12-13H2,1-6H3,(H,24,27)(H,25,28);1H
InChIKeyWSWHHDAEVUCEHE-UHFFFAOYSA-N
MW458.43 g/mol
LogP3.63
Rot. Bonds8

About N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride

N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 14306915) has the molecular formula C22H33Cl2N3O3 and a molecular weight of 458.43 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID14306915
Molecular FormulaC22H33Cl2N3O3
Molecular Weight458.43 g/mol
Exact Mass457.19
IUPAC NameN-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCC1(C)C=C(C(=O)NCCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)N1.Cl
InChIInChI=1S/C22H32ClN3O3.ClH/c1-20(2)14-17(21(3,4)26-20)18(27)24-12-7-13-25-19(28)22(5,6)29-16-10-8-15(23)9-11-16;/h8-11,14,26H,7,12-13H2,1-6H3,(H,24,27)(H,25,28);1H
InChIKeyWSWHHDAEVUCEHE-UHFFFAOYSA-N
XLogP3.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 103919455
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 43092383
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-hydroxyethyl)-2-methylpropanamide
CID 154646221
4-chloro-N-[2-[4-[1-(4-diethoxyphosphorylbutylamino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]benzamide
CID 44760201
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(diaminomethylideneamino)butyl]-2-methylpropanamide
CID 25141661
2-(4-chlorophenoxy)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957606
2-[2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241330
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 14306915) is N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride is CC1(C)C=C(C(=O)NCCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)N1.Cl.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is WSWHHDAEVUCEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O3.ClH/c1-20(2)14-17(21(3,4)26-20)18(27)24-12-7-13-25-19(28)22(5,6)29-16-10-8-15(23)9-11-16;/h8-11,14,26H,7,12-13H2,1-6H3,(H,24,27)(H,25,28);1H.
What are the key properties of N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 458.43 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 14306915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).