1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea

C14H20N2O3 — CID 129397875

IUPAC1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NC[C@@]2(O)CCOC2)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-3-4-12(7-11(10)2)16-13(17)15-8-14(18)5-6-19-9-14/h3-4,7,18H,5-6,8-9H2,1-2H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyHYCNALKQWZGFER-AWEZNQCLSA-N
MW264.32 g/mol
LogP1.58
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea

1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea (PubChem CID 129397875) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
PubChem CID129397875
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NC[C@@]2(O)CCOC2)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-3-4-12(7-11(10)2)16-13(17)15-8-14(18)5-6-19-9-14/h3-4,7,18H,5-6,8-9H2,1-2H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyHYCNALKQWZGFER-AWEZNQCLSA-N
XLogP1.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 78929604
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397882
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
1-(2,3-dihydro-1H-inden-5-yl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936269
1-(4-bromophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936206
N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
CID 119104015

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea (CID 129397875) is 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea is Cc1ccc(NC(=O)NC[C@@]2(O)CCOC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea?
The InChIKey is HYCNALKQWZGFER-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-4-12(7-11(10)2)16-13(17)15-8-14(18)5-6-19-9-14/h3-4,7,18H,5-6,8-9H2,1-2H3,(H2,15,16,17)/t14-/m0/s1.
What are the key properties of 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea?
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea has a molecular weight of 264.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea is sourced from PubChem (CID 129397875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).