1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C17H26N2O — CID 42954663

IUPAC1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCC(C)CCCNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-13(2)7-6-12-18-17(20)19-16-11-5-9-14-8-3-4-10-15(14)16/h3-4,8,10,13,16H,5-7,9,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyHUMJYMGZBJPOIS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 42954663) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID42954663
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCC(C)CCCNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-13(2)7-6-12-18-17(20)19-16-11-5-9-14-8-3-4-10-15(14)16/h3-4,8,10,13,16H,5-7,9,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyHUMJYMGZBJPOIS-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 80541261
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 122160044
1-[2-(methanesulfonamido)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 134006236
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 46486313
2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 106110085
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-thiophen-2-ylethyl)urea
CID 51302009
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
N-methyl-4-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]benzamide
CID 134006297

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 42954663) is 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is CC(C)CCCNC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is HUMJYMGZBJPOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)7-6-12-18-17(20)19-16-11-5-9-14-8-3-4-10-15(14)16/h3-4,8,10,13,16H,5-7,9,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 274.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 42954663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).