1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea

C15H24N2O4 — CID 125179633

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)NC[C@H](O)CO
InChIInChI=1S/C15H24N2O4/c1-15(2,3)10-5-6-13(21-4)12(7-10)17-14(20)16-8-11(19)9-18/h5-7,11,18-19H,8-9H2,1-4H3,(H2,16,17,20)/t11-/m0/s1
InChIKeyYSGSYDDFRJOBFB-NSHDSACASA-N
MW296.37 g/mol
LogP1.47
Rot. Bonds5

About 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea

1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea (PubChem CID 125179633) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
PubChem CID125179633
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)NC[C@H](O)CO
InChIInChI=1S/C15H24N2O4/c1-15(2,3)10-5-6-13(21-4)12(7-10)17-14(20)16-8-11(19)9-18/h5-7,11,18-19H,8-9H2,1-4H3,(H2,16,17,20)/t11-/m0/s1
InChIKeyYSGSYDDFRJOBFB-NSHDSACASA-N
XLogP1.47
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-3-(pyridin-4-ylmethyl)urea
CID 10380868
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 118776570
methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
CID 60852777
2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide
CID 65225620
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
CID 115171825
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730
N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
CID 2457700
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea (CID 125179633) is 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea is COc1ccc(C(C)(C)C)cc1NC(=O)NC[C@H](O)CO.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea?
The InChIKey is YSGSYDDFRJOBFB-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)10-5-6-13(21-4)12(7-10)17-14(20)16-8-11(19)9-18/h5-7,11,18-19H,8-9H2,1-4H3,(H2,16,17,20)/t11-/m0/s1.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea?
1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea has a molecular weight of 296.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea is sourced from PubChem (CID 125179633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).