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

C29H36F3N5O5 — CID 11541638

IUPAC2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H35N5O3.C2HF3O2/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;3-2(4,5)1(6)7/h9-15,18,20,29H,5-8,16-17H2,1-4H3,(H,30,33);(H,6,7)
InChIKeyIMOWNSYWZTWJSD-UHFFFAOYSA-N
MW591.63 g/mol
LogP5.06
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;2,2,2-trifluoroacetic acid

2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 11541638) has the molecular formula C29H36F3N5O5 and a molecular weight of 591.63 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;2,2,2-trifluoroacetic acid.

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;2,2,2-trifluoroacetic acid
PubChem CID11541638
Molecular FormulaC29H36F3N5O5
Molecular Weight591.63 g/mol
Exact Mass591.27
IUPAC Name2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H35N5O3.C2HF3O2/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;3-2(4,5)1(6)7/h9-15,18,20,29H,5-8,16-17H2,1-4H3,(H,30,33);(H,6,7)
InChIKeyIMOWNSYWZTWJSD-UHFFFAOYSA-N
XLogP5.06
TPSA131.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.63
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid (CID 11541638) is 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid.
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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid is CC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC1CCCC1.O=C(O)C(F)(F)F.
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;2,2,2-trifluoroacetic acid?
The InChIKey is IMOWNSYWZTWJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3.C2HF3O2/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;3-2(4,5)1(6)7/h9-15,18,20,29H,5-8,16-17H2,1-4H3,(H,30,33);(H,6,7).
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;2,2,2-trifluoroacetic acid?
2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 591.63 g/mol, XLogP of 5.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 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;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11541638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).