1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea

C17H29N3O2 — CID 108899894

IUPAC1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCCN(CC)CCCNC(=O)NCCc1ccccc1OC
InChIInChI=1S/C17H29N3O2/c1-4-20(5-2)14-8-12-18-17(21)19-13-11-15-9-6-7-10-16(15)22-3/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H2,18,19,21)
InChIKeyAUKPUGLDISEDQW-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.27
Rot. Bonds10

About 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea

1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 108899894) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID108899894
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCCN(CC)CCCNC(=O)NCCc1ccccc1OC
InChIInChI=1S/C17H29N3O2/c1-4-20(5-2)14-8-12-18-17(21)19-13-11-15-9-6-7-10-16(15)22-3/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H2,18,19,21)
InChIKeyAUKPUGLDISEDQW-UHFFFAOYSA-N
XLogP2.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.27
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

N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 37097170
1-[2-(diethylamino)-2-phenylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622015
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
1-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901941
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
benzyl N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]carbamate
CID 23625344
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914510

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 108899894) is 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea is CCN(CC)CCCNC(=O)NCCc1ccccc1OC.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is AUKPUGLDISEDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-20(5-2)14-8-12-18-17(21)19-13-11-15-9-6-7-10-16(15)22-3/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 307.44 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108899894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).