methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate

C27H30N4O5 — CID 118957607

IUPACmethyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CCC21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O
InChIInChI=1S/C27H30N4O5/c1-17(19-8-9-19)30(15-18-6-4-3-5-7-18)23(32)16-31-24(33)27(29-25(31)34)13-12-20-14-21(10-11-22(20)27)28-26(35)36-2/h3-7,10-11,14,17,19H,8-9,12-13,15-16H2,1-2H3,(H,28,35)(H,29,34)/t17-,27?/m0/s1
InChIKeyUXSFHLRLCGUJTG-OIGLVOGNSA-N
MW490.56 g/mol
LogP3.39
Rot. Bonds7

About methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate

methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate (PubChem CID 118957607) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate
PubChem CID118957607
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Namemethyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CCC21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O
InChIInChI=1S/C27H30N4O5/c1-17(19-8-9-19)30(15-18-6-4-3-5-7-18)23(32)16-31-24(33)27(29-25(31)34)13-12-20-14-21(10-11-22(20)27)28-26(35)36-2/h3-7,10-11,14,17,19H,8-9,12-13,15-16H2,1-2H3,(H,28,35)(H,29,34)/t17-,27?/m0/s1
InChIKeyUXSFHLRLCGUJTG-OIGLVOGNSA-N
XLogP3.39
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate?
The IUPAC name of methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate (CID 118957607) is methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate.
What is the SMILES notation for methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate?
The canonical SMILES for methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate is COC(=O)Nc1ccc2c(c1)CCC21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O.
What is the InChIKey of methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate?
The InChIKey is UXSFHLRLCGUJTG-OIGLVOGNSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-17(19-8-9-19)30(15-18-6-4-3-5-7-18)23(32)16-31-24(33)27(29-25(31)34)13-12-20-14-21(10-11-22(20)27)28-26(35)36-2/h3-7,10-11,14,17,19H,8-9,12-13,15-16H2,1-2H3,(H,28,35)(H,29,34)/t17-,27?/m0/s1.
What are the key properties of methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate?
methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate has a molecular weight of 490.56 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1'-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]carbamate is sourced from PubChem (CID 118957607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).