N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

C27H31N5O4 — CID 118957416

IUPACN-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CCC21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O
InChIInChI=1S/C27H31N5O4/c1-17(19-8-9-19)31(15-18-6-4-3-5-7-18)23(33)16-32-24(34)27(30-26(32)36)13-12-20-14-21(10-11-22(20)27)29-25(35)28-2/h3-7,10-11,14,17,19H,8-9,12-13,15-16H2,1-2H3,(H,30,36)(H2,28,29,35)/t17-,27?/m0/s1
InChIKeyLVVCZEJBVPEPGJ-OIGLVOGNSA-N
MW489.58 g/mol
LogP2.96
Rot. Bonds7

About N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 118957416) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
PubChem CID118957416
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC NameN-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CCC21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O
InChIInChI=1S/C27H31N5O4/c1-17(19-8-9-19)31(15-18-6-4-3-5-7-18)23(33)16-32-24(34)27(30-26(32)36)13-12-20-14-21(10-11-22(20)27)29-25(35)28-2/h3-7,10-11,14,17,19H,8-9,12-13,15-16H2,1-2H3,(H,30,36)(H2,28,29,35)/t17-,27?/m0/s1
InChIKeyLVVCZEJBVPEPGJ-OIGLVOGNSA-N
XLogP2.96
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.96
H-Bond Donors ≤ 53
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 N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 118957416) is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is CNC(=O)Nc1ccc2c(c1)CCC21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O.
What is the InChIKey of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is LVVCZEJBVPEPGJ-OIGLVOGNSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-17(19-8-9-19)31(15-18-6-4-3-5-7-18)23(33)16-32-24(34)27(30-26(32)36)13-12-20-14-21(10-11-22(20)27)29-25(35)28-2/h3-7,10-11,14,17,19H,8-9,12-13,15-16H2,1-2H3,(H,30,36)(H2,28,29,35)/t17-,27?/m0/s1.
What are the key properties of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 118957416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).