1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea

C16H27N3O2 — CID 83112296

IUPAC1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea
SMILESCCCOc1ccc(C(C)NCCNC(=O)N(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-5-12-21-15-8-6-14(7-9-15)13(2)17-10-11-18-16(20)19(3)4/h6-9,13,17H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyUTSCPQUKUNZWOE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.40
Rot. Bonds8

About 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea

1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea (PubChem CID 83112296) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea
PubChem CID83112296
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea
SMILESCCCOc1ccc(C(C)NCCNC(=O)N(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-5-12-21-15-8-6-14(7-9-15)13(2)17-10-11-18-16(20)19(3)4/h6-9,13,17H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyUTSCPQUKUNZWOE-UHFFFAOYSA-N
XLogP2.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.40
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

1,1-dimethyl-3-[2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]urea
CID 83112295
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
3-[2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116462
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569
4-[[1-(4-propoxyphenyl)ethylamino]methyl]benzoic acid
CID 122030771
3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83112283
3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea
CID 100743856
1,1-dimethyl-3-[2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl]urea
CID 83107937
2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
CID 102696755
N,N-dimethyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 43573853

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea (CID 83112296) is 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea is CCCOc1ccc(C(C)NCCNC(=O)N(C)C)cc1.
What is the InChIKey of 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea?
The InChIKey is UTSCPQUKUNZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-12-21-15-8-6-14(7-9-15)13(2)17-10-11-18-16(20)19(3)4/h6-9,13,17H,5,10-12H2,1-4H3,(H,18,20).
What are the key properties of 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea?
1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea has a molecular weight of 293.41 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea is sourced from PubChem (CID 83112296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).