2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide

C27H35N5O3 — CID 11541639

IUPAC2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC1CCCC1
InChIInChI=1S/C27H35N5O3/c1-18(2)22-10-9-21(15-23(22)30-24(33)16-29-20-7-5-6-8-20)32-25(34)27(3,4)31(26(32)35)17-19-11-13-28-14-12-19/h9-15,18,20,29H,5-8,16-17H2,1-4H3,(H,30,33)
InChIKeyPDSWUIWGRWSYID-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.42
Rot. Bonds8

About 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide

2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide (PubChem CID 11541639) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide
PubChem CID11541639
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC1CCCC1
InChIInChI=1S/C27H35N5O3/c1-18(2)22-10-9-21(15-23(22)30-24(33)16-29-20-7-5-6-8-20)32-25(34)27(3,4)31(26(32)35)17-19-11-13-28-14-12-19/h9-15,18,20,29H,5-8,16-17H2,1-4H3,(H,30,33)
InChIKeyPDSWUIWGRWSYID-UHFFFAOYSA-N
XLogP4.42
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide (CID 11541639) is 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide is CC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide?
The InChIKey is PDSWUIWGRWSYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-18(2)22-10-9-21(15-23(22)30-24(33)16-29-20-7-5-6-8-20)32-25(34)27(3,4)31(26(32)35)17-19-11-13-28-14-12-19/h9-15,18,20,29H,5-8,16-17H2,1-4H3,(H,30,33).
What are the key properties of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide?
2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide has a molecular weight of 477.61 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 11541639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).