1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea

C15H24N2O2 — CID 95984730

IUPAC1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea
SMILESCC(C)(C)[C@H](O)CCNC(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)13(18)9-10-16-14(19)17-11-12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyHARWJFZGHVNEOE-CYBMUJFWSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds5

About 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea

1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea (PubChem CID 95984730) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea
PubChem CID95984730
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea
SMILESCC(C)(C)[C@H](O)CCNC(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)13(18)9-10-16-14(19)17-11-12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyHARWJFZGHVNEOE-CYBMUJFWSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
2-benzylsulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787591
1-(3-amino-4-methoxybutyl)-3-benzylurea
CID 106243722
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111337141
4-[(3-methylbutylcarbamoylamino)methyl]benzoic acid
CID 61184226
1-(3-hydroxy-4,4-dimethylpentyl)-3-(2-methoxyphenyl)urea
CID 90523642
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea?
The IUPAC name of 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea (CID 95984730) is 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea.
What is the SMILES notation for 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea?
The canonical SMILES for 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea is CC(C)(C)[C@H](O)CCNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea?
The InChIKey is HARWJFZGHVNEOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)13(18)9-10-16-14(19)17-11-12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea?
1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea is sourced from PubChem (CID 95984730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).