1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea

C31H34N4O3 — CID 40951145

IUPAC1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea
SMILESCCCCCN1C(=O)N(c2cccc3ccccc23)[C@H](N(O)C(=O)Nc2cccc3ccccc23)C1(C)C
InChIInChI=1S/C31H34N4O3/c1-4-5-10-21-33-30(37)34(27-20-12-16-23-14-7-9-18-25(23)27)28(31(33,2)3)35(38)29(36)32-26-19-11-15-22-13-6-8-17-24(22)26/h6-9,11-20,28,38H,4-5,10,21H2,1-3H3,(H,32,36)/t28-/m1/s1
InChIKeyOHRSUBUOSIAJRE-MUUNZHRXSA-N
MW510.64 g/mol
LogP7.45
Rot. Bonds7

About 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea

1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea (PubChem CID 40951145) has the molecular formula C31H34N4O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea
PubChem CID40951145
Molecular FormulaC31H34N4O3
Molecular Weight510.64 g/mol
Exact Mass510.26
IUPAC Name1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea
SMILESCCCCCN1C(=O)N(c2cccc3ccccc23)[C@H](N(O)C(=O)Nc2cccc3ccccc23)C1(C)C
InChIInChI=1S/C31H34N4O3/c1-4-5-10-21-33-30(37)34(27-20-12-16-23-14-7-9-18-25(23)27)28(31(33,2)3)35(38)29(36)32-26-19-11-15-22-13-6-8-17-24(22)26/h6-9,11-20,28,38H,4-5,10,21H2,1-3H3,(H,32,36)/t28-/m1/s1
InChIKeyOHRSUBUOSIAJRE-MUUNZHRXSA-N
XLogP7.45
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate
CID 6983446
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
N-naphthalen-1-yldodecanamide
CID 588517
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 3730045
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639
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
4-[butyl(naphthalen-1-ylcarbamoyl)amino]benzoic acid
CID 20787975
5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide
CID 98307424
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
CID 2827367

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea (CID 40951145) is 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea is CCCCCN1C(=O)N(c2cccc3ccccc23)[C@H](N(O)C(=O)Nc2cccc3ccccc23)C1(C)C.
What is the InChIKey of 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea?
The InChIKey is OHRSUBUOSIAJRE-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H34N4O3/c1-4-5-10-21-33-30(37)34(27-20-12-16-23-14-7-9-18-25(23)27)28(31(33,2)3)35(38)29(36)32-26-19-11-15-22-13-6-8-17-24(22)26/h6-9,11-20,28,38H,4-5,10,21H2,1-3H3,(H,32,36)/t28-/m1/s1.
What are the key properties of 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea?
1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea has a molecular weight of 510.64 g/mol, XLogP of 7.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-5,5-dimethyl-3-naphthalen-1-yl-2-oxo-1-pentylimidazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea is sourced from PubChem (CID 40951145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).