1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea

C14H22N2O2 — CID 56820991

IUPAC1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
SMILESCc1cc(C(C)NC(=O)N(C)CC2CC2)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-9-7-13(11(3)18-9)10(2)15-14(17)16(4)8-12-5-6-12/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyNVKGPEOQVLIRET-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.01
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea

1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea (PubChem CID 56820991) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
PubChem CID56820991
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
SMILESCc1cc(C(C)NC(=O)N(C)CC2CC2)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-9-7-13(11(3)18-9)10(2)15-14(17)16(4)8-12-5-6-12/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyNVKGPEOQVLIRET-UHFFFAOYSA-N
XLogP3.01
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea (CID 56820991) is 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea is Cc1cc(C(C)NC(=O)N(C)CC2CC2)c(C)o1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea?
The InChIKey is NVKGPEOQVLIRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-13(11(3)18-9)10(2)15-14(17)16(4)8-12-5-6-12/h7,10,12H,5-6,8H2,1-4H3,(H,15,17).
What are the key properties of 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea?
1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea has a molecular weight of 250.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea is sourced from PubChem (CID 56820991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).