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

C16H22N2O — CID 47133281

IUPAC1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCC(NC(=O)Nc1cccc2c1CCCC2)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(12-9-10-12)17-16(19)18-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3,(H2,17,18,19)
InChIKeyMLWZPHRMZDAJNW-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.49
Rot. Bonds3

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

1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 47133281) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID47133281
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCC(NC(=O)Nc1cccc2c1CCCC2)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(12-9-10-12)17-16(19)18-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3,(H2,17,18,19)
InChIKeyMLWZPHRMZDAJNW-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
2-amino-2-(oxan-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 120783058
2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid
CID 103232434
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 76925739
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 43834022

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 47133281) is 1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is CC(NC(=O)Nc1cccc2c1CCCC2)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is MLWZPHRMZDAJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(12-9-10-12)17-16(19)18-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 258.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 47133281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).