1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea

C17H28N2O2 — CID 108895013

IUPAC1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c1-11(20)3-4-18-16(21)19-12(2)17-8-13-5-14(9-17)7-15(6-13)10-17/h12-15H,3-10H2,1-2H3,(H2,18,19,21)
InChIKeyGBTGKQLTJFSWHP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds5

About 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea

1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea (PubChem CID 108895013) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea.

Molecular Properties

Compound Name1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea
PubChem CID108895013
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c1-11(20)3-4-18-16(21)19-12(2)17-8-13-5-14(9-17)7-15(6-13)10-17/h12-15H,3-10H2,1-2H3,(H2,18,19,21)
InChIKeyGBTGKQLTJFSWHP-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(1-adamantyl)ethyl]-3-butylurea
CID 7068856
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 17454177
N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7929308
N'-[1-(1-adamantyl)ethyl]-N-butyloxamide
CID 108505075
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea?
The IUPAC name of 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea (CID 108895013) is 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea.
What is the SMILES notation for 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea?
The canonical SMILES for 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea is CC(=O)CCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea?
The InChIKey is GBTGKQLTJFSWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(20)3-4-18-16(21)19-12(2)17-8-13-5-14(9-17)7-15(6-13)10-17/h12-15H,3-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea?
1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea has a molecular weight of 292.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-adamantyl)ethyl]-3-(3-oxobutyl)urea is sourced from PubChem (CID 108895013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).