N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide

C29H34FN5O4 — CID 135203968

About N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide

N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 135203968) has the molecular formula C29H34FN5O4 and a molecular weight of 535.62 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
• PubChem CID: 135203968
• Molecular Formula: C29H34FN5O4
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.26
• IUPAC Name: N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
• SMILES: CCNC(=O)Nc1ccc2c(c1)CCC1(C2)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C(C)C2CC2)C1=O
• InChI: InChI=1S/C29H34FN5O4/c1-3-31-27(38)32-24-11-8-22-15-29(13-12-21(22)14-24)26(37)35(28(39)33-29)17-25(36)34(18(2)20-6-7-20)16-19-4-9-23(30)10-5-19/h4-5,8-11,14,18,20H,3,6-7,12-13,15-17H2,1-2H3,(H,33,39)(H2,31,32,38)
• InChIKey: XKLJSUBRAASSKB-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 110.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The IUPAC name of N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 135203968) is N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide.

What is the SMILES notation for N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The canonical SMILES for N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide is CCNC(=O)Nc1ccc2c(c1)CCC1(C2)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C(C)C2CC2)C1=O.

What is the InChIKey of N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The InChIKey is XKLJSUBRAASSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O4/c1-3-31-27(38)32-24-11-8-22-15-29(13-12-21(22)14-24)26(37)35(28(39)33-29)17-25(36)34(18(2)20-6-7-20)16-19-4-9-23(30)10-5-19/h4-5,8-11,14,18,20H,3,6-7,12-13,15-17H2,1-2H3,(H,33,39)(H2,31,32,38).

What are the key properties of N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide?

N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 535.62 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 135203968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).