1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea

C16H24N2O2 — CID 125140738

IUPAC1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea
SMILESCC[C@H](COC)NC(=O)NC1CC(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-3-14(11-20-2)17-16(19)18-15-9-13(10-15)12-7-5-4-6-8-12/h4-8,13-15H,3,9-11H2,1-2H3,(H2,17,18,19)/t13?,14-,15?/m1/s1
InChIKeyXBJLYQPAKOQFKU-SHARSMKWSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds6

About 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea

1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea (PubChem CID 125140738) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea
PubChem CID125140738
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea
SMILESCC[C@H](COC)NC(=O)NC1CC(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-3-14(11-20-2)17-16(19)18-15-9-13(10-15)12-7-5-4-6-8-12/h4-8,13-15H,3,9-11H2,1-2H3,(H2,17,18,19)/t13?,14-,15?/m1/s1
InChIKeyXBJLYQPAKOQFKU-SHARSMKWSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide
CID 120989012
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
2-(2-methoxyethylamino)-N-(3-phenylcyclobutyl)acetamide
CID 119774808
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
CID 104897960
2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817719
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea
CID 23937340
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea
CID 166369745
4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
CID 120591704

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea?
The IUPAC name of 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea (CID 125140738) is 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea.
What is the SMILES notation for 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea?
The canonical SMILES for 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea is CC[C@H](COC)NC(=O)NC1CC(c2ccccc2)C1.
What is the InChIKey of 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea?
The InChIKey is XBJLYQPAKOQFKU-SHARSMKWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14(11-20-2)17-16(19)18-15-9-13(10-15)12-7-5-4-6-8-12/h4-8,13-15H,3,9-11H2,1-2H3,(H2,17,18,19)/t13?,14-,15?/m1/s1.
What are the key properties of 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea?
1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea is sourced from PubChem (CID 125140738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).