1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea

C14H25N3O2 — CID 54510347

IUPAC1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea
SMILESCCN(CC)C(=O)N(C)c1ccc(N(CC)CC)o1
InChIInChI=1S/C14H25N3O2/c1-6-16(7-2)13-11-10-12(19-13)15(5)14(18)17(8-3)9-4/h10-11H,6-9H2,1-5H3
InChIKeyYIQSUJFCJFDZJD-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.02
Rot. Bonds6

About 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea

1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea (PubChem CID 54510347) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea.

Molecular Properties

Compound Name1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea
PubChem CID54510347
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea
SMILESCCN(CC)C(=O)N(C)c1ccc(N(CC)CC)o1
InChIInChI=1S/C14H25N3O2/c1-6-16(7-2)13-11-10-12(19-13)15(5)14(18)17(8-3)9-4/h10-11H,6-9H2,1-5H3
InChIKeyYIQSUJFCJFDZJD-UHFFFAOYSA-N
XLogP3.02
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea?
The IUPAC name of 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea (CID 54510347) is 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea.
What is the SMILES notation for 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea?
The canonical SMILES for 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea is CCN(CC)C(=O)N(C)c1ccc(N(CC)CC)o1.
What is the InChIKey of 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea?
The InChIKey is YIQSUJFCJFDZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-16(7-2)13-11-10-12(19-13)15(5)14(18)17(8-3)9-4/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea?
1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea has a molecular weight of 267.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)furan-2-yl]-3,3-diethyl-1-methylurea is sourced from PubChem (CID 54510347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).