1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea

C20H29N3O3 — CID 55819935

IUPAC1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
SMILESCCN(CC)C(C)CNC(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C20H29N3O3/c1-4-23(5-2)16(3)13-21-20(24)22-18-9-6-8-17(12-18)14-25-15-19-10-7-11-26-19/h6-12,16H,4-5,13-15H2,1-3H3,(H2,21,22,24)
InChIKeyPGTQAZLQGGPKGS-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.85
Rot. Bonds10

About 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea

1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea (PubChem CID 55819935) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
PubChem CID55819935
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
SMILESCCN(CC)C(C)CNC(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C20H29N3O3/c1-4-23(5-2)16(3)13-21-20(24)22-18-9-6-8-17(12-18)14-25-15-19-10-7-11-26-19/h6-12,16H,4-5,13-15H2,1-3H3,(H2,21,22,24)
InChIKeyPGTQAZLQGGPKGS-UHFFFAOYSA-N
XLogP3.85
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754666
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 51085457
N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 60542221
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 55819679
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 94643107
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea?
The IUPAC name of 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea (CID 55819935) is 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea?
The canonical SMILES for 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea is CCN(CC)C(C)CNC(=O)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea?
The InChIKey is PGTQAZLQGGPKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-23(5-2)16(3)13-21-20(24)22-18-9-6-8-17(12-18)14-25-15-19-10-7-11-26-19/h6-12,16H,4-5,13-15H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea?
1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea has a molecular weight of 359.47 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea is sourced from PubChem (CID 55819935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).