1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea

C23H30N2O4 — CID 158167130

IUPAC1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea
SMILESO=C1C=Cc2cc(OCCCNC(=O)N(C3CC3)[C@@H]3CCCC[C@H]3O)ccc2C1
InChIInChI=1S/C23H30N2O4/c26-19-10-6-17-15-20(11-7-16(17)14-19)29-13-3-12-24-23(28)25(18-8-9-18)21-4-1-2-5-22(21)27/h6-7,10-11,15,18,21-22,27H,1-5,8-9,12-14H2,(H,24,28)/t21-,22-/m1/s1
InChIKeyFWZDXRFCSFLKNZ-FGZHOGPDSA-N
MW398.50 g/mol
LogP3.07
Rot. Bonds7

About 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea

1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea (PubChem CID 158167130) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea
PubChem CID158167130
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea
SMILESO=C1C=Cc2cc(OCCCNC(=O)N(C3CC3)[C@@H]3CCCC[C@H]3O)ccc2C1
InChIInChI=1S/C23H30N2O4/c26-19-10-6-17-15-20(11-7-16(17)14-19)29-13-3-12-24-23(28)25(18-8-9-18)21-4-1-2-5-22(21)27/h6-7,10-11,15,18,21-22,27H,1-5,8-9,12-14H2,(H,24,28)/t21-,22-/m1/s1
InChIKeyFWZDXRFCSFLKNZ-FGZHOGPDSA-N
XLogP3.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea with MolForge

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Related Compounds

1-cyclopropyl-1-[(1S,2S)-2-(3-hydroxypropoxy)cyclohexyl]-3-[3-[(2-oxo-1H-quinolin-6-yl)oxy]propyl]urea
CID 70191424
1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(2-oxo-4aH-quinolin-6-yl)oxy]propyl]urea
CID 172652538
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
7-(4-hydroxybutoxy)-1H-naphthalen-2-one;4-[(7-oxo-8H-naphthalen-2-yl)oxy]butanal
CID 160655191
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100664449
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 47064707
3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102634743
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 110165070
7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid
CID 102633440
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea (CID 158167130) is 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea is O=C1C=Cc2cc(OCCCNC(=O)N(C3CC3)[C@@H]3CCCC[C@H]3O)ccc2C1.
What is the InChIKey of 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea?
The InChIKey is FWZDXRFCSFLKNZ-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H30N2O4/c26-19-10-6-17-15-20(11-7-16(17)14-19)29-13-3-12-24-23(28)25(18-8-9-18)21-4-1-2-5-22(21)27/h6-7,10-11,15,18,21-22,27H,1-5,8-9,12-14H2,(H,24,28)/t21-,22-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea?
1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea has a molecular weight of 398.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(6-oxo-5H-naphthalen-2-yl)oxy]propyl]urea is sourced from PubChem (CID 158167130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).