[4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate

C17H24N2O3 — CID 171546002

IUPAC[4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1ccc(NC(=O)C2CCCN2C)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)17(21)22-11-13-6-8-14(9-7-13)18-16(20)15-5-4-10-19(15)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyHZUYEXVPXGCZPM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.42
Rot. Bonds5

About [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate

[4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate (PubChem CID 171546002) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate
PubChem CID171546002
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1ccc(NC(=O)C2CCCN2C)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)17(21)22-11-13-6-8-14(9-7-13)18-16(20)15-5-4-10-19(15)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyHZUYEXVPXGCZPM-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate
CID 59515941
(2S)-N-[4-[3-(4-aminophenyl)propylamino]phenyl]-1-methylpyrrolidine-2-carboxamide
CID 176904802
benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate
CID 90115821
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91182280
tert-butyl (2S)-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 39683346
[4-[4-[[(3R)-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]phenyl]phenyl]methyl N-propan-2-ylcarbamate
CID 58742395
[4-(2-aminoethoxycarbonylamino)phenyl]methyl 2-methylpropanoate;ethane;molecular hydrogen
CID 144997523
benzyl 2-[(4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46502069

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate?
The IUPAC name of [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate (CID 171546002) is [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate.
What is the SMILES notation for [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate?
The canonical SMILES for [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate is CC(C)C(=O)OCc1ccc(NC(=O)C2CCCN2C)cc1.
What is the InChIKey of [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate?
The InChIKey is HZUYEXVPXGCZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)17(21)22-11-13-6-8-14(9-7-13)18-16(20)15-5-4-10-19(15)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,18,20).
What are the key properties of [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate?
[4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate has a molecular weight of 304.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate is sourced from PubChem (CID 171546002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).