1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea

C28H35N3O2 — CID 57124072

IUPAC1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea
SMILESCCCN(CCc1ccccc1)CCc1ccc(OCc2ccccc2)c(NC(=O)NC)c1
InChIInChI=1S/C28H35N3O2/c1-3-18-31(19-16-23-10-6-4-7-11-23)20-17-24-14-15-27(26(21-24)30-28(32)29-2)33-22-25-12-8-5-9-13-25/h4-15,21H,3,16-20,22H2,1-2H3,(H2,29,30,32)
InChIKeyUKAIVWHOUAOLQC-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.51
Rot. Bonds12

About 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea

1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea (PubChem CID 57124072) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea
PubChem CID57124072
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea
SMILESCCCN(CCc1ccccc1)CCc1ccc(OCc2ccccc2)c(NC(=O)NC)c1
InChIInChI=1S/C28H35N3O2/c1-3-18-31(19-16-23-10-6-4-7-11-23)20-17-24-14-15-27(26(21-24)30-28(32)29-2)33-22-25-12-8-5-9-13-25/h4-15,21H,3,16-20,22H2,1-2H3,(H2,29,30,32)
InChIKeyUKAIVWHOUAOLQC-UHFFFAOYSA-N
XLogP5.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea with MolForge

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Related Compounds

1-[5-[2-[butyl-[2-(4-methylphenyl)ethyl]amino]ethyl]-2-phenylmethoxyphenyl]-3-methylurea
CID 54410248
1-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]-3-methylurea
CID 21435486
butyl N-[5-(2-chloroethyl)-2-phenylmethoxyphenyl]carbamate
CID 10215615
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate
CID 71023999
[2-hydroxy-5-[2-[4-phenylbutyl(propyl)amino]ethyl]phenyl]urea;hydrobromide
CID 70412138
1-[3-[2-[benzyl(butyl)amino]ethyl]phenyl]-3-methylurea
CID 57286486
N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide
CID 122150574
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
[5-[2-[2-(2-butyl-4-phenylmethoxyphenyl)ethylamino]ethyl]-2-phenylmethoxyphenyl]urea
CID 70412957
(5-acetyl-2-phenylmethoxyphenyl)urea
CID 21435558
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea?
The IUPAC name of 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea (CID 57124072) is 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea.
What is the SMILES notation for 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea?
The canonical SMILES for 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea is CCCN(CCc1ccccc1)CCc1ccc(OCc2ccccc2)c(NC(=O)NC)c1.
What is the InChIKey of 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea?
The InChIKey is UKAIVWHOUAOLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-3-18-31(19-16-23-10-6-4-7-11-23)20-17-24-14-15-27(26(21-24)30-28(32)29-2)33-22-25-12-8-5-9-13-25/h4-15,21H,3,16-20,22H2,1-2H3,(H2,29,30,32).
What are the key properties of 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea?
1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea has a molecular weight of 445.61 g/mol, XLogP of 5.51, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-[2-[2-phenylethyl(propyl)amino]ethyl]-2-phenylmethoxyphenyl]urea is sourced from PubChem (CID 57124072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).