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

C21H25N3O3 — CID 47060202

IUPACN-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc(OCC(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-16-6-4-9-19(12-16)27-15-20(25)22-14-17-7-5-8-18(13-17)23-21(26)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyPSPJFSAEHZCPIM-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.32
Rot. Bonds6

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

N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 47060202) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID47060202
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc(OCC(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-16-6-4-9-19(12-16)27-15-20(25)22-14-17-7-5-8-18(13-17)23-21(26)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyPSPJFSAEHZCPIM-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55862256
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CID 111899803
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
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CID 108736263
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
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CID 60524787
N-[3-[[4-(methylamino)butanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743696
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[3-[[3-(3-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55864061
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (CID 47060202) is N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is Cc1cccc(OCC(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is PSPJFSAEHZCPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-6-4-9-19(12-16)27-15-20(25)22-14-17-7-5-8-18(13-17)23-21(26)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47060202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).