1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea

C15H25N3O2 — CID 108988372

IUPAC1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)20-14-8-6-13(7-9-14)17-15(19)16-10-5-11-18(3)4/h6-9,12H,5,10-11H2,1-4H3,(H2,16,17,19)
InChIKeySHYVCAJQAAWCJF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.55
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea

1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 108988372) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
PubChem CID108988372
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)20-14-8-6-13(7-9-14)17-15(19)16-10-5-11-18(3)4/h6-9,12H,5,10-11H2,1-4H3,(H2,16,17,19)
InChIKeySHYVCAJQAAWCJF-UHFFFAOYSA-N
XLogP2.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[3-(dimethylamino)propyl]-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053455
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate
CID 108865603
4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109083962
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310
1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896244
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
1-[4-(dimethylamino)butyl]-3-[4-[[4-[4-(dimethylamino)butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139956196
1-[1-(4-chlorophenoxy)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108879890
1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 111578950
2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
CID 43146435
1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217169

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea (CID 108988372) is 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea is CC(C)Oc1ccc(NC(=O)NCCCN(C)C)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is SHYVCAJQAAWCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)20-14-8-6-13(7-9-14)17-15(19)16-10-5-11-18(3)4/h6-9,12H,5,10-11H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea?
1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 279.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 108988372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).