1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea

C15H24N2O2 — CID 86999284

IUPAC1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NC(C)COC
InChIInChI=1S/C15H24N2O2/c1-4-10-17(11-14-8-6-5-7-9-14)15(18)16-13(2)12-19-3/h5-9,13H,4,10-12H2,1-3H3,(H,16,18)
InChIKeyFCRMDKHHFLBNMY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.64
Rot. Bonds7

About 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea

1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea (PubChem CID 86999284) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea.

Molecular Properties

Compound Name1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
PubChem CID86999284
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NC(C)COC
InChIInChI=1S/C15H24N2O2/c1-4-10-17(11-14-8-6-5-7-9-14)15(18)16-13(2)12-19-3/h5-9,13H,4,10-12H2,1-3H3,(H,16,18)
InChIKeyFCRMDKHHFLBNMY-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 95283557
1-benzyl-3-phenyl-1-propylurea
CID 78786424
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 56782733
3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 95278483
1-benzyl-1-(2-methoxyethyl)-3-pentylurea
CID 86913997
N-benzyl-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119681638
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 82846735
1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95772645
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea?
The IUPAC name of 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea (CID 86999284) is 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea.
What is the SMILES notation for 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea?
The canonical SMILES for 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea is CCCN(Cc1ccccc1)C(=O)NC(C)COC.
What is the InChIKey of 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea?
The InChIKey is FCRMDKHHFLBNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-10-17(11-14-8-6-5-7-9-14)15(18)16-13(2)12-19-3/h5-9,13H,4,10-12H2,1-3H3,(H,16,18).
What are the key properties of 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea?
1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea has a molecular weight of 264.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea is sourced from PubChem (CID 86999284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).