methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate

C16H22N2O3 — CID 106974927

IUPACmethyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
SMILESCCCC1(C(=O)Nc2ccc(C(=O)OC)cc2)CCCN1
InChIInChI=1S/C16H22N2O3/c1-3-9-16(10-4-11-17-16)15(20)18-13-7-5-12(6-8-13)14(19)21-2/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyIMXKFKZPVFCIQO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds5

About methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate

methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate (PubChem CID 106974927) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
PubChem CID106974927
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
SMILESCCCC1(C(=O)Nc2ccc(C(=O)OC)cc2)CCCN1
InChIInChI=1S/C16H22N2O3/c1-3-9-16(10-4-11-17-16)15(20)18-13-7-5-12(6-8-13)14(19)21-2/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyIMXKFKZPVFCIQO-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974366
N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974156
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400
N-(1H-indazol-6-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974446
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080696
N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975900
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate (CID 106974927) is methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate is CCCC1(C(=O)Nc2ccc(C(=O)OC)cc2)CCCN1.
What is the InChIKey of methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate?
The InChIKey is IMXKFKZPVFCIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-9-16(10-4-11-17-16)15(20)18-13-7-5-12(6-8-13)14(19)21-2/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate?
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 106974927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).