1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

C22H27N3O5 — CID 55985295

IUPAC1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CCCC3C(N)=O)c2)c(OC)c1OC
InChIInChI=1S/C22H27N3O5/c1-28-18-10-9-16(19(29-2)20(18)30-3)22(27)24-15-7-4-6-14(12-15)13-25-11-5-8-17(25)21(23)26/h4,6-7,9-10,12,17H,5,8,11,13H2,1-3H3,(H2,23,26)(H,24,27)
InChIKeyZZDRUQOKJRTNQX-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.41
Rot. Bonds8

About 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55985295) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55985295
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CCCC3C(N)=O)c2)c(OC)c1OC
InChIInChI=1S/C22H27N3O5/c1-28-18-10-9-16(19(29-2)20(18)30-3)22(27)24-15-7-4-6-14(12-15)13-25-11-5-8-17(25)21(23)26/h4,6-7,9-10,12,17H,5,8,11,13H2,1-3H3,(H2,23,26)(H,24,27)
InChIKeyZZDRUQOKJRTNQX-UHFFFAOYSA-N
XLogP2.41
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide 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

1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 75385102
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide
CID 60560334
1-[(4-carbamothioyl-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 106788713
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
(2S)-1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038742
(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 124828194
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
1-[[3-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984608
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119856274
1-[[3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984987

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 55985295) is 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is COc1ccc(C(=O)Nc2cccc(CN3CCCC3C(N)=O)c2)c(OC)c1OC.
What is the InChIKey of 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZZDRUQOKJRTNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-28-18-10-9-16(19(29-2)20(18)30-3)22(27)24-15-7-4-6-14(12-15)13-25-11-5-8-17(25)21(23)26/h4,6-7,9-10,12,17H,5,8,11,13H2,1-3H3,(H2,23,26)(H,24,27).
What are the key properties of 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55985295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).