2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate

C28H25N4O5- — CID 6983446

IUPAC2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate
SMILESCC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)[O-]
InChIInChI=1S/C28H26N4O5/c1-28(2)25(32(37)26(35)29-22-15-7-11-18-9-3-5-13-20(18)22)31(27(36)30(28)17-24(33)34)23-16-8-12-19-10-4-6-14-21(19)23/h3-16,25,37H,17H2,1-2H3,(H,29,35)(H,33,34)/p-1/t25-/m0/s1
InChIKeyRGQBKWDXGZGQTF-VWLOTQADSA-M
MW497.53 g/mol
LogP4.01
Rot. Bonds5

About 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate

2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate (PubChem CID 6983446) has the molecular formula C28H25N4O5- and a molecular weight of 497.53 g/mol. Its IUPAC name is 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate
PubChem CID6983446
Molecular FormulaC28H25N4O5-
Molecular Weight497.53 g/mol
Exact Mass497.18
IUPAC Name2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate
SMILESCC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)[O-]
InChIInChI=1S/C28H26N4O5/c1-28(2)25(32(37)26(35)29-22-15-7-11-18-9-3-5-13-20(18)22)31(27(36)30(28)17-24(33)34)23-16-8-12-19-10-4-6-14-21(19)23/h3-16,25,37H,17H2,1-2H3,(H,29,35)(H,33,34)/p-1/t25-/m0/s1
InChIKeyRGQBKWDXGZGQTF-VWLOTQADSA-M
XLogP4.01
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea
CID 40951145
2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide
CID 143747756
1-[(4R)-3-butyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea
CID 7361041
1-[(4S)-5,5-dimethyl-1-(3-methylbutyl)-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 1400769
ethyl 2-[(4S)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetate
CID 6990477
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 3730045
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
1-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
CID 3155089
2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
CID 84572307
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate (CID 6983446) is 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate is CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)[O-].
What is the InChIKey of 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is RGQBKWDXGZGQTF-VWLOTQADSA-M. The full InChI is InChI=1S/C28H26N4O5/c1-28(2)25(32(37)26(35)29-22-15-7-11-18-9-3-5-13-20(18)22)31(27(36)30(28)17-24(33)34)23-16-8-12-19-10-4-6-14-21(19)23/h3-16,25,37H,17H2,1-2H3,(H,29,35)(H,33,34)/p-1/t25-/m0/s1.
What are the key properties of 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate?
2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 497.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 6983446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).