1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea

C17H26N2O3 — CID 111103394

IUPAC1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCC(O)COCC2CC2)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-11-6-12(2)16(13(3)7-11)19-17(21)18-8-15(20)10-22-9-14-4-5-14/h6-7,14-15,20H,4-5,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyRULGUQZEXSHGCW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.52
Rot. Bonds7

About 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 111103394) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID111103394
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCC(O)COCC2CC2)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-11-6-12(2)16(13(3)7-11)19-17(21)18-8-15(20)10-22-9-14-4-5-14/h6-7,14-15,20H,4-5,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyRULGUQZEXSHGCW-UHFFFAOYSA-N
XLogP2.52
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea
CID 110911367
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94798536
1-(4-cyanophenyl)-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 47090168
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 94797817
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 110911377
1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol
CID 110911157

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea (CID 111103394) is 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCC(O)COCC2CC2)c(C)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is RULGUQZEXSHGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11-6-12(2)16(13(3)7-11)19-17(21)18-8-15(20)10-22-9-14-4-5-14/h6-7,14-15,20H,4-5,8-10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea?
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 306.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 111103394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).