1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea

C24H30N2O2 — CID 4916609

IUPAC1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea
SMILESO=C(NCCCOC12CC3CC(CC(C3)C1)C2)Nc1cccc2ccccc12
InChIInChI=1S/C24H30N2O2/c27-23(26-22-8-3-6-20-5-1-2-7-21(20)22)25-9-4-10-28-24-14-17-11-18(15-24)13-19(12-17)16-24/h1-3,5-8,17-19H,4,9-16H2,(H2,25,26,27)
InChIKeyIKFIXMJFUOMCRI-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.34
Rot. Bonds6

About 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea

1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea (PubChem CID 4916609) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea
PubChem CID4916609
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea
SMILESO=C(NCCCOC12CC3CC(CC(C3)C1)C2)Nc1cccc2ccccc12
InChIInChI=1S/C24H30N2O2/c27-23(26-22-8-3-6-20-5-1-2-7-21(20)22)25-9-4-10-28-24-14-17-11-18(15-24)13-19(12-17)16-24/h1-3,5-8,17-19H,4,9-16H2,(H2,25,26,27)
InChIKeyIKFIXMJFUOMCRI-UHFFFAOYSA-N
XLogP5.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-3-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]urea
CID 4919473
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
CID 108883534
1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea
CID 52666869
[2-(naphthalen-1-ylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7867122
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea (CID 4916609) is 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea is O=C(NCCCOC12CC3CC(CC(C3)C1)C2)Nc1cccc2ccccc12.
What is the InChIKey of 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea?
The InChIKey is IKFIXMJFUOMCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-23(26-22-8-3-6-20-5-1-2-7-21(20)22)25-9-4-10-28-24-14-17-11-18(15-24)13-19(12-17)16-24/h1-3,5-8,17-19H,4,9-16H2,(H2,25,26,27).
What are the key properties of 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea?
1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea has a molecular weight of 378.52 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 4916609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).