1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea

C18H22N2O — CID 3853598

IUPAC1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
SMILESCCCN(CC1CC1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-2-11-20(13-14-7-8-14)18(21)19-17-10-9-15-5-3-4-6-16(15)12-17/h3-6,9-10,12,14H,2,7-8,11,13H2,1H3,(H,19,21)
InChIKeyKJRZJLDSCSKNDN-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.49
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea

1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea (PubChem CID 3853598) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
PubChem CID3853598
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
SMILESCCCN(CC1CC1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-2-11-20(13-14-7-8-14)18(21)19-17-10-9-15-5-3-4-6-16(15)12-17/h3-6,9-10,12,14H,2,7-8,11,13H2,1H3,(H,19,21)
InChIKeyKJRZJLDSCSKNDN-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-naphthalen-2-yl-1-(oxan-4-ylmethyl)urea
CID 74234927
3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea
CID 47022406
N-(cyclopropylmethyl)-3-hydroxy-N-propylnaphthalene-2-carboxamide
CID 60654196
3-[4-(dimethylamino)phenyl]-1-[[4-[[[4-(dimethylamino)phenyl]carbamoyl-pentylamino]methyl]cyclohexyl]methyl]-1-pentylurea
CID 70185239
1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea
CID 3684138
N-(cyclopropylmethyl)-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 41138685
N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide
CID 134029193
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 87003126
[4-[[naphthalen-2-ylsulfonyl(propyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025832

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea (CID 3853598) is 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea is CCCN(CC1CC1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea?
The InChIKey is KJRZJLDSCSKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-11-20(13-14-7-8-14)18(21)19-17-10-9-15-5-3-4-6-16(15)12-17/h3-6,9-10,12,14H,2,7-8,11,13H2,1H3,(H,19,21).
What are the key properties of 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea?
1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea has a molecular weight of 282.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea is sourced from PubChem (CID 3853598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).