1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea

C18H25N3O2 — CID 86992805

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCCOCC1CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O2/c22-18(19-9-3-11-23-13-14-6-7-14)20-10-8-15-12-21-17-5-2-1-4-16(15)17/h1-2,4-5,12,14,21H,3,6-11,13H2,(H2,19,20,22)
InChIKeyUXKXGWNPUAZRLQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.83
Rot. Bonds9

About 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea

1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 86992805) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID86992805
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCCOCC1CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O2/c22-18(19-9-3-11-23-13-14-6-7-14)20-10-8-15-12-21-17-5-2-1-4-16(15)17/h1-2,4-5,12,14,21H,3,6-11,13H2,(H2,19,20,22)
InChIKeyUXKXGWNPUAZRLQ-UHFFFAOYSA-N
XLogP2.83
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111759670
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972233
3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole
CID 44784869
1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 55770071
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 110997135
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 110997142
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108915571

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea (CID 86992805) is 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCCCOCC1CC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is UXKXGWNPUAZRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(19-9-3-11-23-13-14-6-7-14)20-10-8-15-12-21-17-5-2-1-4-16(15)17/h1-2,4-5,12,14,21H,3,6-11,13H2,(H2,19,20,22).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 315.42 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86992805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).