1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea

C20H28N4O2 — CID 119044870

IUPAC1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
SMILESCCN(CCCN(C)C)C(=O)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H28N4O2/c1-4-24(13-7-12-23(2)3)20(25)22-18-9-5-10-19(14-18)26-16-17-8-6-11-21-15-17/h5-6,8-11,14-15H,4,7,12-13,16H2,1-3H3,(H,22,25)
InChIKeyRIXVVJSIOBGFTQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.47
Rot. Bonds9

About 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea

1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea (PubChem CID 119044870) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
PubChem CID119044870
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
SMILESCCN(CCCN(C)C)C(=O)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H28N4O2/c1-4-24(13-7-12-23(2)3)20(25)22-18-9-5-10-19(14-18)26-16-17-8-6-11-21-15-17/h5-6,8-11,14-15H,4,7,12-13,16H2,1-3H3,(H,22,25)
InChIKeyRIXVVJSIOBGFTQ-UHFFFAOYSA-N
XLogP3.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
2-methyl-3-(methylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846173
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide
CID 119846196
2-(2-tert-butylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55805039
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea (CID 119044870) is 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea is CCN(CCCN(C)C)C(=O)Nc1cccc(OCc2cccnc2)c1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea?
The InChIKey is RIXVVJSIOBGFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-24(13-7-12-23(2)3)20(25)22-18-9-5-10-19(14-18)26-16-17-8-6-11-21-15-17/h5-6,8-11,14-15H,4,7,12-13,16H2,1-3H3,(H,22,25).
What are the key properties of 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea?
1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea has a molecular weight of 356.47 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea is sourced from PubChem (CID 119044870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).