1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea

C19H24N2O4 — CID 39977410

IUPAC1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea
SMILESCOc1ccc(CCNC(=O)N(Cc2ccco2)C2CC2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-23-17-8-5-14(12-18(17)24-2)9-10-20-19(22)21(15-6-7-15)13-16-4-3-11-25-16/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3,(H,20,22)
InChIKeyIRQDDIZJMOVKME-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.21
Rot. Bonds8

About 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea

1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea (PubChem CID 39977410) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea
PubChem CID39977410
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea
SMILESCOc1ccc(CCNC(=O)N(Cc2ccco2)C2CC2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-23-17-8-5-14(12-18(17)24-2)9-10-20-19(22)21(15-6-7-15)13-16-4-3-11-25-16/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3,(H,20,22)
InChIKeyIRQDDIZJMOVKME-UHFFFAOYSA-N
XLogP3.21
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3496002
2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158352
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2954103
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035892
3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113115368
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
CID 108868367
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87000370
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 3947518
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 4129422
3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 38213350
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 126417608

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea (CID 39977410) is 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea is COc1ccc(CCNC(=O)N(Cc2ccco2)C2CC2)cc1OC.
What is the InChIKey of 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is IRQDDIZJMOVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-23-17-8-5-14(12-18(17)24-2)9-10-20-19(22)21(15-6-7-15)13-16-4-3-11-25-16/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea?
1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 344.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 39977410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).