3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea

C17H29N3O2 — CID 112503851

IUPAC3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea
SMILESCCOc1ccc(C(CNC(=O)N(CC)CC)N(C)C)cc1
InChIInChI=1S/C17H29N3O2/c1-6-20(7-2)17(21)18-13-16(19(4)5)14-9-11-15(12-10-14)22-8-3/h9-12,16H,6-8,13H2,1-5H3,(H,18,21)
InChIKeyFLPIXYMGVOQWBD-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.74
Rot. Bonds8

About 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea

3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea (PubChem CID 112503851) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea
PubChem CID112503851
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea
SMILESCCOc1ccc(C(CNC(=O)N(CC)CC)N(C)C)cc1
InChIInChI=1S/C17H29N3O2/c1-6-20(7-2)17(21)18-13-16(19(4)5)14-9-11-15(12-10-14)22-8-3/h9-12,16H,6-8,13H2,1-5H3,(H,18,21)
InChIKeyFLPIXYMGVOQWBD-UHFFFAOYSA-N
XLogP2.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 45001670
2-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]propanamide
CID 110621926
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 45001628
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8656372
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
4-(dimethylamino)-4-(4-ethoxyphenyl)butan-1-ol
CID 116907779
N-[(2S)-2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 35582660
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 7943967

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea?
The IUPAC name of 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea (CID 112503851) is 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea is CCOc1ccc(C(CNC(=O)N(CC)CC)N(C)C)cc1.
What is the InChIKey of 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea?
The InChIKey is FLPIXYMGVOQWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-6-20(7-2)17(21)18-13-16(19(4)5)14-9-11-15(12-10-14)22-8-3/h9-12,16H,6-8,13H2,1-5H3,(H,18,21).
What are the key properties of 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea?
3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea has a molecular weight of 307.44 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea is sourced from PubChem (CID 112503851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).