1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea

C19H30N2O — CID 3684138

IUPAC1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea
SMILESCCCN(CC1CC1)C(=O)Nc1c(CC)cccc1C(C)C
InChIInChI=1S/C19H30N2O/c1-5-12-21(13-15-10-11-15)19(22)20-18-16(6-2)8-7-9-17(18)14(3)4/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
InChIKeyQCTVYVGBYFHEPA-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.03
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea

1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea (PubChem CID 3684138) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea
PubChem CID3684138
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea
SMILESCCCN(CC1CC1)C(=O)Nc1c(CC)cccc1C(C)C
InChIInChI=1S/C19H30N2O/c1-5-12-21(13-15-10-11-15)19(22)20-18-16(6-2)8-7-9-17(18)14(3)4/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
InChIKeyQCTVYVGBYFHEPA-UHFFFAOYSA-N
XLogP5.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
CID 3853598
1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea
CID 87849745
1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 23988043
1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea
CID 3597757
3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea
CID 47022406
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769288
1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea
CID 86999671
1-(diaminomethylidene)-3-(2-ethyl-6-propan-2-ylphenyl)urea
CID 22769635
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902
(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
CID 93193539
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]benzoic acid
CID 61442889
3-(2,6-difluorophenyl)-1,1-dipropylurea
CID 108991003

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea (CID 3684138) is 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea is CCCN(CC1CC1)C(=O)Nc1c(CC)cccc1C(C)C.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea?
The InChIKey is QCTVYVGBYFHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-12-21(13-15-10-11-15)19(22)20-18-16(6-2)8-7-9-17(18)14(3)4/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22).
What are the key properties of 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea?
1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea has a molecular weight of 302.46 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea is sourced from PubChem (CID 3684138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).