1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea

C16H24N2O2 — CID 111104225

IUPAC1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC(c1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O2/c1-2-14(11-19)17-16(20)18-15(13-9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,13-15,19H,2,6,9-11H2,1H3,(H2,17,18,20)
InChIKeyRAIFCQRACQSKMS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.60
Rot. Bonds6

About 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea

1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 111104225) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID111104225
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC(c1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O2/c1-2-14(11-19)17-16(20)18-15(13-9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,13-15,19H,2,6,9-11H2,1H3,(H2,17,18,20)
InChIKeyRAIFCQRACQSKMS-UHFFFAOYSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454185
1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea
CID 95573065
2-[[(S)-cyclohexyl(phenyl)methyl]carbamoylamino]propanediamide
CID 94187456
1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea
CID 125444168
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
CID 95663638
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea (CID 111104225) is 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NC(c1ccccc1)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is RAIFCQRACQSKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-14(11-19)17-16(20)18-15(13-9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,13-15,19H,2,6,9-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea?
1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 111104225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).