1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea

C16H22N2O3 — CID 19788833

IUPAC1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea
SMILESCCCCOc1ccc2c(c1)CCC(CN(O)C(N)=O)=C2
InChIInChI=1S/C16H22N2O3/c1-2-3-8-21-15-7-6-13-9-12(4-5-14(13)10-15)11-18(20)16(17)19/h6-7,9-10,20H,2-5,8,11H2,1H3,(H2,17,19)
InChIKeyYVAGQZPFZDJXRB-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.96
Rot. Bonds6

About 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea

1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea (PubChem CID 19788833) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea
PubChem CID19788833
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea
SMILESCCCCOc1ccc2c(c1)CCC(CN(O)C(N)=O)=C2
InChIInChI=1S/C16H22N2O3/c1-2-3-8-21-15-7-6-13-9-12(4-5-14(13)10-15)11-18(20)16(17)19/h6-7,9-10,20H,2-5,8,11H2,1H3,(H2,17,19)
InChIKeyYVAGQZPFZDJXRB-UHFFFAOYSA-N
XLogP2.96
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-heptoxy-3-(2-methoxyethoxy)-1,2-dihydronaphthalene
CID 163936783
1-[[4-[6-[4-[[carbamoyl(hydroxy)amino]methyl]phenoxy]hexoxy]phenyl]methyl]-1-hydroxyurea
CID 54418481
1-[[4-[7-[4-[[carbamoyl(hydroxy)amino]methyl]phenoxy]heptoxy]phenyl]methyl]-1-hydroxyurea
CID 54502989
(8-butoxy-2,3-dihydro-1-benzoxepin-4-yl)methanol
CID 71163499
3-[(6-phenyl-7,8-dihydronaphthalen-2-yl)oxy]propyl 2,3-diaminopropanoate
CID 155222302
1-[[6-(4,4,4-trifluorobutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 139434450
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
(2-oxo-3,4-dihydrochromen-6-yl) 4-butoxybenzoate
CID 102080102
2-(4-butoxyphenoxy)acetamide
CID 22974475
butyl 2-(1,3-benzodioxol-5-yloxy)acetate
CID 54941607
(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene
CID 175701230
6-[[(5E)-6-[2-methyl-5-(trifluoromethyl)phenyl]-7,8,9,10-tetrahydrobenzo[8]annulen-2-yl]oxy]hexyl 2-methylprop-2-enoate
CID 155222085

Frequently Asked Questions

What is the IUPAC name of 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea?
The IUPAC name of 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea (CID 19788833) is 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea?
The canonical SMILES for 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea is CCCCOc1ccc2c(c1)CCC(CN(O)C(N)=O)=C2.
What is the InChIKey of 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea?
The InChIKey is YVAGQZPFZDJXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-8-21-15-7-6-13-9-12(4-5-14(13)10-15)11-18(20)16(17)19/h6-7,9-10,20H,2-5,8,11H2,1H3,(H2,17,19).
What are the key properties of 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea?
1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea has a molecular weight of 290.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea is sourced from PubChem (CID 19788833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).