3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea

C19H32N2O — CID 112832124

IUPAC3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea
SMILESCC(C)CCN(C(=O)NC1C2CC3CC(C2)CC1C3)C1CC1
InChIInChI=1S/C19H32N2O/c1-12(2)5-6-21(17-3-4-17)19(22)20-18-15-8-13-7-14(10-15)11-16(18)9-13/h12-18H,3-11H2,1-2H3,(H,20,22)
InChIKeyPKVZGJUQXBJOAQ-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.03
Rot. Bonds5

About 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea

3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea (PubChem CID 112832124) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea.

Molecular Properties

Compound Name3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea
PubChem CID112832124
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea
SMILESCC(C)CCN(C(=O)NC1C2CC3CC(C2)CC1C3)C1CC1
InChIInChI=1S/C19H32N2O/c1-12(2)5-6-21(17-3-4-17)19(22)20-18-15-8-13-7-14(10-15)11-16(18)9-13/h12-18H,3-11H2,1-2H3,(H,20,22)
InChIKeyPKVZGJUQXBJOAQ-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
N-(2-adamantyl)-3-methylbutanamide
CID 959856
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 78974415
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976332
N-(2-adamantyl)-4-hydroxypentanamide
CID 79200321
2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 79004991
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
CID 78974444
5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 78918801
N-(2-adamantyl)-2-[cyclopropyl(ethyl)amino]acetamide
CID 112818447
1-(2-adamantyl)-3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]urea
CID 112831635

Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea?
The IUPAC name of 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea (CID 112832124) is 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea.
What is the SMILES notation for 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea?
The canonical SMILES for 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea is CC(C)CCN(C(=O)NC1C2CC3CC(C2)CC1C3)C1CC1.
What is the InChIKey of 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea?
The InChIKey is PKVZGJUQXBJOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-12(2)5-6-21(17-3-4-17)19(22)20-18-15-8-13-7-14(10-15)11-16(18)9-13/h12-18H,3-11H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea?
3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea has a molecular weight of 304.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea is sourced from PubChem (CID 112832124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).