3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea

C16H26N2O3 — CID 111754728

IUPAC3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCCOCc1ccccc1NC(=O)N(CC(C)O)C(C)C
InChIInChI=1S/C16H26N2O3/c1-5-21-11-14-8-6-7-9-15(14)17-16(20)18(12(2)3)10-13(4)19/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyBDDISAPZFGQJAZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.85
Rot. Bonds7

About 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea

3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 111754728) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
PubChem CID111754728
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCCOCc1ccccc1NC(=O)N(CC(C)O)C(C)C
InChIInChI=1S/C16H26N2O3/c1-5-21-11-14-8-6-7-9-15(14)17-16(20)18(12(2)3)10-13(4)19/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyBDDISAPZFGQJAZ-UHFFFAOYSA-N
XLogP2.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
CID 65290260
(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide
CID 86826290
1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 62534809
2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95130239
3-[2-(ethoxymethyl)phenyl]-1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97320497
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea
CID 60562675
1-[2-(ethoxymethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 110902703
2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3992333
[4-[[[(2R)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
CID 7297333

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea (CID 111754728) is 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea is CCOCc1ccccc1NC(=O)N(CC(C)O)C(C)C.
What is the InChIKey of 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is BDDISAPZFGQJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-21-11-14-8-6-7-9-15(14)17-16(20)18(12(2)3)10-13(4)19/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,17,20).
What are the key properties of 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 294.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 111754728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).