1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea

C18H25N3O2 — CID 95068239

IUPAC1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea
SMILESC/C(=N\NC(=O)NCc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O2/c1-12(20-21-17(22)19-11-16-3-2-4-23-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15H,5-11H2,1H3,(H2,19,21,22)/b20-12+
InChIKeyPVNUINGDWDOGMI-UDWIEESQSA-N
MW315.42 g/mol
LogP3.67
Rot. Bonds4

About 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea

1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea (PubChem CID 95068239) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea
PubChem CID95068239
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea
SMILESC/C(=N\NC(=O)NCc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O2/c1-12(20-21-17(22)19-11-16-3-2-4-23-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15H,5-11H2,1H3,(H2,19,21,22)/b20-12+
InChIKeyPVNUINGDWDOGMI-UDWIEESQSA-N
XLogP3.67
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(furan-2-ylmethyl)adamantane-1-carboxamide
CID 78533747
N-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190863
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 4667670
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide
CID 29367404
3-[2-[1-(1-adamantyl)ethylidene]hydrazinyl]-3-oxopropanoic acid
CID 6611126
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
CID 16896113

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea (CID 95068239) is 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea is C/C(=N\NC(=O)NCc1ccco1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea?
The InChIKey is PVNUINGDWDOGMI-UDWIEESQSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(20-21-17(22)19-11-16-3-2-4-23-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15H,5-11H2,1H3,(H2,19,21,22)/b20-12+.
What are the key properties of 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea?
1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea has a molecular weight of 315.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 95068239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).