1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea

C16H24N2O3 — CID 129397882

IUPAC1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NC[C@]2(O)CCOC2)cc1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)12-4-6-13(7-5-12)18-14(19)17-10-16(20)8-9-21-11-16/h4-7,20H,8-11H2,1-3H3,(H2,17,18,19)/t16-/m1/s1
InChIKeyIOAKRWKVOZYSSN-MRXNPFEDSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds3

About 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea

1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea (PubChem CID 129397882) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
PubChem CID129397882
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NC[C@]2(O)CCOC2)cc1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)12-4-6-13(7-5-12)18-14(19)17-10-16(20)8-9-21-11-16/h4-7,20H,8-11H2,1-3H3,(H2,17,18,19)/t16-/m1/s1
InChIKeyIOAKRWKVOZYSSN-MRXNPFEDSA-N
XLogP2.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 129397923
1-(4-bromophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936206
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea
CID 90581362
N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
CID 119104015
1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936623
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 78929604
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea (CID 129397882) is 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea is CC(C)(C)c1ccc(NC(=O)NC[C@]2(O)CCOC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea?
The InChIKey is IOAKRWKVOZYSSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)12-4-6-13(7-5-12)18-14(19)17-10-16(20)8-9-21-11-16/h4-7,20H,8-11H2,1-3H3,(H2,17,18,19)/t16-/m1/s1.
What are the key properties of 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea?
1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea has a molecular weight of 292.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea is sourced from PubChem (CID 129397882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).