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

C24H27N5O4 — CID 55617288

IUPAC1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CCCC1
InChIInChI=1S/C24H27N5O4/c30-20-15-26-23(33)29(20)16-18-9-6-10-19(13-18)27-21(31)24(11-4-5-12-24)28-22(32)25-14-17-7-2-1-3-8-17/h1-3,6-10,13H,4-5,11-12,14-16H2,(H,26,33)(H,27,31)(H2,25,28,32)
InChIKeyBBKCFNOZVQGXTL-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.49
Rot. Bonds7

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

1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide (PubChem CID 55617288) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
PubChem CID55617288
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CCCC1
InChIInChI=1S/C24H27N5O4/c30-20-15-26-23(33)29(20)16-18-9-6-10-19(13-18)27-21(31)24(11-4-5-12-24)28-22(32)25-14-17-7-2-1-3-8-17/h1-3,6-10,13H,4-5,11-12,14-16H2,(H,26,33)(H,27,31)(H2,25,28,32)
InChIKeyBBKCFNOZVQGXTL-UHFFFAOYSA-N
XLogP2.49
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide (CID 55617288) is 1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide is O=C(NCc1ccccc1)NC1(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CCCC1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is BBKCFNOZVQGXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c30-20-15-26-23(33)29(20)16-18-9-6-10-19(13-18)27-21(31)24(11-4-5-12-24)28-22(32)25-14-17-7-2-1-3-8-17/h1-3,6-10,13H,4-5,11-12,14-16H2,(H,26,33)(H,27,31)(H2,25,28,32).
What are the key properties of 1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide?
1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55617288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).