1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea

C17H27N3O3 — CID 51107745

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCCN(CCNC(=O)NCc1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C17H27N3O3/c1-4-20(14-6-7-14)10-9-18-17(21)19-12-13-5-8-15(22-2)16(11-13)23-3/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3,(H2,18,19,21)
InChIKeyXDJCATKTNOPXHQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.99
Rot. Bonds9

About 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea

1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea (PubChem CID 51107745) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
PubChem CID51107745
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCCN(CCNC(=O)NCc1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C17H27N3O3/c1-4-20(14-6-7-14)10-9-18-17(21)19-12-13-5-8-15(22-2)16(11-13)23-3/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3,(H2,18,19,21)
InChIKeyXDJCATKTNOPXHQ-UHFFFAOYSA-N
XLogP1.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea
CID 108896807
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924420
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 71807793
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38156799
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 38208936
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methylpentyl)urea
CID 38221992
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38210357
3-[(3-ethoxy-4-methoxyphenyl)methylcarbamoylamino]propanoic acid
CID 122002229
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111590121
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea (CID 51107745) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea is CCN(CCNC(=O)NCc1ccc(OC)c(OC)c1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The InChIKey is XDJCATKTNOPXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-20(14-6-7-14)10-9-18-17(21)19-12-13-5-8-15(22-2)16(11-13)23-3/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea has a molecular weight of 321.42 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea is sourced from PubChem (CID 51107745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).