1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C21H25N3O3 — CID 55984992

IUPAC1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCC(=O)Nc2cccc(CN3CCCC3C(N)=O)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-15-7-9-18(10-8-15)27-14-20(25)23-17-5-2-4-16(12-17)13-24-11-3-6-19(24)21(22)26/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H2,22,26)(H,23,25)
InChIKeyHNUFBYGPECXCKT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.46
Rot. Bonds7

About 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55984992) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55984992
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCC(=O)Nc2cccc(CN3CCCC3C(N)=O)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-15-7-9-18(10-8-15)27-14-20(25)23-17-5-2-4-16(12-17)13-24-11-3-6-19(24)21(22)26/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H2,22,26)(H,23,25)
InChIKeyHNUFBYGPECXCKT-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560302
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
1-[[3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55986549
(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 124828194
1-[[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985629
1-[[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56540164
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984604
1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560364
1-[[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985756
1-[[3-[(1-phenylcyclobutanecarbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560169

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 55984992) is 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is Cc1ccc(OCC(=O)Nc2cccc(CN3CCCC3C(N)=O)c2)cc1.
What is the InChIKey of 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HNUFBYGPECXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-7-9-18(10-8-15)27-14-20(25)23-17-5-2-4-16(12-17)13-24-11-3-6-19(24)21(22)26/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55984992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).