1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea

C15H27N3O2 — CID 63766148

IUPAC1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea
SMILESNCCOCCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N3O2/c16-1-3-20-4-2-17-14(19)18-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10,16H2,(H2,17,18,19)
InChIKeyGRTCPYOCZDIRDB-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.23
Rot. Bonds6

About 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea

1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea (PubChem CID 63766148) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea
PubChem CID63766148
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea
SMILESNCCOCCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N3O2/c16-1-3-20-4-2-17-14(19)18-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10,16H2,(H2,17,18,19)
InChIKeyGRTCPYOCZDIRDB-UHFFFAOYSA-N
XLogP1.23
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea
CID 59168740
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
1-(1-adamantyl)-3-hexylurea
CID 102308549
3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
CID 120505636
1-(1-adamantyl)-3-(2-amino-2-sulfanylideneethyl)urea
CID 61127673
1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea
CID 62666112
2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate
CID 103970598
N-[2-(2-aminoethoxy)ethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003381
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
1-(1-adamantyl)-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593878
3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
CID 119643008

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea (CID 63766148) is 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea is NCCOCCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea?
The InChIKey is GRTCPYOCZDIRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-1-3-20-4-2-17-14(19)18-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10,16H2,(H2,17,18,19).
What are the key properties of 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea?
1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea has a molecular weight of 281.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea is sourced from PubChem (CID 63766148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).