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

C19H28N2O — CID 167836999

IUPAC1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
SMILESO=C(NCCC1CCCC1)NCC1CCc2ccccc2C1
InChIInChI=1S/C19H28N2O/c22-19(20-12-11-15-5-1-2-6-15)21-14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H2,20,21,22)
InChIKeySETPMNANSCSWFM-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.67
Rot. Bonds5

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

1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea (PubChem CID 167836999) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
PubChem CID167836999
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
SMILESO=C(NCCC1CCCC1)NCC1CCc2ccccc2C1
InChIInChI=1S/C19H28N2O/c22-19(20-12-11-15-5-1-2-6-15)21-14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H2,20,21,22)
InChIKeySETPMNANSCSWFM-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-ethylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
CID 166381125
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-ethylphenyl)methyl]urea
CID 166381064
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
1,2,3,4-tetrahydronaphthalen-2-ylmethylhydrazine
CID 107126485
1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 129362346
1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99858704
N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 107126609
2-[[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)acetyl]amino]methyl]benzoic acid
CID 166251959
N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
The IUPAC name of 1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea (CID 167836999) is 1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea is O=C(NCCC1CCCC1)NCC1CCc2ccccc2C1.
What is the InChIKey of 1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
The InChIKey is SETPMNANSCSWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(20-12-11-15-5-1-2-6-15)21-14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H2,20,21,22).
What are the key properties of 1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea has a molecular weight of 300.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea is sourced from PubChem (CID 167836999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).