1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C16H24N2O2 — CID 111578848

IUPAC1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCC(O)CCN(C)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H24N2O2/c1-12(19)10-11-18(2)16(20)17-15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9,12,19H,3-4,6,8,10-11H2,1-2H3,(H,17,20)
InChIKeyQXVDCNXYBOACMQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 111578848) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID111578848
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCC(O)CCN(C)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H24N2O2/c1-12(19)10-11-18(2)16(20)17-15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9,12,19H,3-4,6,8,10-11H2,1-2H3,(H,17,20)
InChIKeyQXVDCNXYBOACMQ-UHFFFAOYSA-N
XLogP2.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
3-(5-bromo-2-methylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578954
6-amino-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)heptanamide
CID 65293239
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 107837911
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
3-(4-ethylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578837
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
1-[(3R)-3-hydroxybutyl]-1-methyl-3-(3-pyrrolidin-1-ylphenyl)urea
CID 97222637

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 111578848) is 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is CC(O)CCN(C)C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is QXVDCNXYBOACMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(19)10-11-18(2)16(20)17-15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9,12,19H,3-4,6,8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 111578848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).