1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea

C19H30N2O3 — CID 60577155

IUPAC1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
SMILESCCCCCCNC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C19H30N2O3/c1-2-3-4-8-13-20-19(22)21-17-11-5-6-12-18(17)24-15-16-10-7-9-14-23-16/h5-6,11-12,16H,2-4,7-10,13-15H2,1H3,(H2,20,21,22)
InChIKeyBPJBCAUUARMVEO-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.34
Rot. Bonds9

About 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea

1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea (PubChem CID 60577155) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
PubChem CID60577155
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
SMILESCCCCCCNC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C19H30N2O3/c1-2-3-4-8-13-20-19(22)21-17-11-5-6-12-18(17)24-15-16-10-7-9-14-23-16/h5-6,11-12,16H,2-4,7-10,13-15H2,1H3,(H2,20,21,22)
InChIKeyBPJBCAUUARMVEO-UHFFFAOYSA-N
XLogP4.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 60572958
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
1-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
CID 119747593
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid
CID 122077814
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97278335
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea?
The IUPAC name of 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea (CID 60577155) is 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea is CCCCCCNC(=O)Nc1ccccc1OCC1CCCCO1.
What is the InChIKey of 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea?
The InChIKey is BPJBCAUUARMVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-3-4-8-13-20-19(22)21-17-11-5-6-12-18(17)24-15-16-10-7-9-14-23-16/h5-6,11-12,16H,2-4,7-10,13-15H2,1H3,(H2,20,21,22).
What are the key properties of 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea?
1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea has a molecular weight of 334.46 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 60577155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).