3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea

C18H24N2O3 — CID 86880553

IUPAC3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
SMILESCOc1c(C)cc(CN(C)C(=O)NC(C)c2ccco2)cc1C
InChIInChI=1S/C18H24N2O3/c1-12-9-15(10-13(2)17(12)22-5)11-20(4)18(21)19-14(3)16-7-6-8-23-16/h6-10,14H,11H2,1-5H3,(H,19,21)
InChIKeyGLSALTPCZVCAPU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.81
Rot. Bonds5

About 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea

3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea (PubChem CID 86880553) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
PubChem CID86880553
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
SMILESCOc1c(C)cc(CN(C)C(=O)NC(C)c2ccco2)cc1C
InChIInChI=1S/C18H24N2O3/c1-12-9-15(10-13(2)17(12)22-5)11-20(4)18(21)19-14(3)16-7-6-8-23-16/h6-10,14H,11H2,1-5H3,(H,19,21)
InChIKeyGLSALTPCZVCAPU-UHFFFAOYSA-N
XLogP3.81
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-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

Related Compounds

3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325
3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 95302643
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
1-benzyl-3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 110895092
1-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189907
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea
CID 95159972

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea (CID 86880553) is 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea is COc1c(C)cc(CN(C)C(=O)NC(C)c2ccco2)cc1C.
What is the InChIKey of 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
The InChIKey is GLSALTPCZVCAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-9-15(10-13(2)17(12)22-5)11-20(4)18(21)19-14(3)16-7-6-8-23-16/h6-10,14H,11H2,1-5H3,(H,19,21).
What are the key properties of 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea has a molecular weight of 316.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea is sourced from PubChem (CID 86880553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).