3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea

C15H25N3O3 — CID 61418847

IUPAC3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C15H25N3O3/c1-12(16)13-5-4-6-14(11-13)17-15(19)18(7-9-20-2)8-10-21-3/h4-6,11-12H,7-10,16H2,1-3H3,(H,17,19)
InChIKeyOCHJOZPCHLCMBH-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.83
Rot. Bonds8

About 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea

3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 61418847) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID61418847
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C15H25N3O3/c1-12(16)13-5-4-6-14(11-13)17-15(19)18(7-9-20-2)8-10-21-3/h4-6,11-12H,7-10,16H2,1-3H3,(H,17,19)
InChIKeyOCHJOZPCHLCMBH-UHFFFAOYSA-N
XLogP1.83
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 61341691
[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea
CID 61342222
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea
CID 63939898
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(3-methylbutan-2-yl)urea
CID 61339685
1-(2-methoxyethyl)-1-(2-methylpropyl)-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825382
3-[3-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438322
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea (CID 61418847) is 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is OCHJOZPCHLCMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12(16)13-5-4-6-14(11-13)17-15(19)18(7-9-20-2)8-10-21-3/h4-6,11-12H,7-10,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea?
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 295.38 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 61418847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).