1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea

C19H28N2O3 — CID 126791507

IUPAC1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
SMILESCOC1(CNC(=O)NCC2CCCc3ccccc32)CCOCC1
InChIInChI=1S/C19H28N2O3/c1-23-19(9-11-24-12-10-19)14-21-18(22)20-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-3,5,8,16H,4,6-7,9-14H2,1H3,(H2,20,21,22)
InChIKeyZYMWVCNAJFBJNK-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.60
Rot. Bonds5

About 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea

1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea (PubChem CID 126791507) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
PubChem CID126791507
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
SMILESCOC1(CNC(=O)NCC2CCCc3ccccc32)CCOCC1
InChIInChI=1S/C19H28N2O3/c1-23-19(9-11-24-12-10-19)14-21-18(22)20-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-3,5,8,16H,4,6-7,9-14H2,1H3,(H2,20,21,22)
InChIKeyZYMWVCNAJFBJNK-UHFFFAOYSA-N
XLogP2.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea with MolForge

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Related Compounds

1-[3-(oxan-4-yloxy)propyl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 96518413
1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 166180262
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 86841913
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
3-methoxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 166351622
1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111870531
N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 113443436
4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide
CID 86994987
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide
CID 46579063

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea (CID 126791507) is 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea is COC1(CNC(=O)NCC2CCCc3ccccc32)CCOCC1.
What is the InChIKey of 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
The InChIKey is ZYMWVCNAJFBJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-19(9-11-24-12-10-19)14-21-18(22)20-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-3,5,8,16H,4,6-7,9-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea has a molecular weight of 332.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea is sourced from PubChem (CID 126791507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).