N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide

C19H27N3O3 — CID 120948417

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(N2CC(C(=O)NCC3CNCC3O)CC2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-2-3-13-4-6-16(7-5-13)22-12-14(8-18(22)24)19(25)21-10-15-9-20-11-17(15)23/h4-7,14-15,17,20,23H,2-3,8-12H2,1H3,(H,21,25)
InChIKeyQMJKXLDSVDUSEY-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.69
Rot. Bonds6

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide (PubChem CID 120948417) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
PubChem CID120948417
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(N2CC(C(=O)NCC3CNCC3O)CC2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-2-3-13-4-6-16(7-5-13)22-12-14(8-18(22)24)19(25)21-10-15-9-20-11-17(15)23/h4-7,14-15,17,20,23H,2-3,8-12H2,1H3,(H,21,25)
InChIKeyQMJKXLDSVDUSEY-UHFFFAOYSA-N
XLogP0.69
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 120943708
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119628581
1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 120943924
1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120943923
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120947786
1-(2-ethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120943263
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119370329
1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120688398
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 119523528
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119536152
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide (CID 120948417) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide is CCCc1ccc(N2CC(C(=O)NCC3CNCC3O)CC2=O)cc1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QMJKXLDSVDUSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-3-13-4-6-16(7-5-13)22-12-14(8-18(22)24)19(25)21-10-15-9-20-11-17(15)23/h4-7,14-15,17,20,23H,2-3,8-12H2,1H3,(H,21,25).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120948417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).