1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea

C17H26N2O3 — CID 110911367

IUPAC1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC(O)COCC2CC2)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-12-3-6-15(13(2)7-12)8-18-17(21)19-9-16(20)11-22-10-14-4-5-14/h3,6-7,14,16,20H,4-5,8-11H2,1-2H3,(H2,18,19,21)
InChIKeyUJCIIPDGSFWVOJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.89
Rot. Bonds8

About 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea (PubChem CID 110911367) 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-dimethylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea
PubChem CID110911367
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC(O)COCC2CC2)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-12-3-6-15(13(2)7-12)8-18-17(21)19-9-16(20)11-22-10-14-4-5-14/h3,6-7,14,16,20H,4-5,8-11H2,1-2H3,(H2,18,19,21)
InChIKeyUJCIIPDGSFWVOJ-UHFFFAOYSA-N
XLogP1.89
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(naphthalen-1-ylmethyl)urea
CID 110911378
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]urea
CID 97055333
1-[(2,4-dimethylphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338177
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426788
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 110911350
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 110911377

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea (CID 110911367) is 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCC(O)COCC2CC2)c(C)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea?
The InChIKey is UJCIIPDGSFWVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-3-6-15(13(2)7-12)8-18-17(21)19-9-16(20)11-22-10-14-4-5-14/h3,6-7,14,16,20H,4-5,8-11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea?
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea has a molecular weight of 306.41 g/mol, XLogP of 1.89, 8 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-dimethylphenyl)methyl]urea is sourced from PubChem (CID 110911367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).