N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide

C15H18N4O3 — CID 119288678

IUPACN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C1CCCN1
InChIInChI=1S/C15H18N4O3/c20-13-8-17-15(22)19(13)9-10-3-1-4-11(7-10)18-14(21)12-5-2-6-16-12/h1,3-4,7,12,16H,2,5-6,8-9H2,(H,17,22)(H,18,21)
InChIKeyMCBXIFHSJBMKGF-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.43
Rot. Bonds4

About N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 119288678) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID119288678
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C1CCCN1
InChIInChI=1S/C15H18N4O3/c20-13-8-17-15(22)19(13)9-10-3-1-4-11(7-10)18-14(21)12-5-2-6-16-12/h1,3-4,7,12,16H,2,5-6,8-9H2,(H,17,22)(H,18,21)
InChIKeyMCBXIFHSJBMKGF-UHFFFAOYSA-N
XLogP0.43
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119856251
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
(2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55939052
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
CID 60944276
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide (CID 119288678) is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C1CCCN1.
What is the InChIKey of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MCBXIFHSJBMKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-13-8-17-15(22)19(13)9-10-3-1-4-11(7-10)18-14(21)12-5-2-6-16-12/h1,3-4,7,12,16H,2,5-6,8-9H2,(H,17,22)(H,18,21).
What are the key properties of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide?
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119288678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).