1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea

C18H28N2O — CID 166180262

IUPAC1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
SMILESCC(C)(C)CCNC(=O)NCC1CCCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-18(2,3)11-12-19-17(21)20-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,15H,6,8-9,11-13H2,1-3H3,(H2,19,20,21)
InChIKeyDLYGQHFVLOCPAT-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.84
Rot. Bonds4

About 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea

1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea (PubChem CID 166180262) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
PubChem CID166180262
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
SMILESCC(C)(C)CCNC(=O)NCC1CCCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-18(2,3)11-12-19-17(21)20-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,15H,6,8-9,11-13H2,1-3H3,(H2,19,20,21)
InChIKeyDLYGQHFVLOCPAT-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 97048590
1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 126791507
1-[3-(oxan-4-yloxy)propyl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 96518413
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 111457992
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 86841913
1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111870531
tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate
CID 46578833
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea
CID 97227635
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
The IUPAC name of 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea (CID 166180262) is 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea is CC(C)(C)CCNC(=O)NCC1CCCc2ccccc21.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
The InChIKey is DLYGQHFVLOCPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)11-12-19-17(21)20-13-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,15H,6,8-9,11-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea has a molecular weight of 288.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea is sourced from PubChem (CID 166180262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).