1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea

C18H23N3O3 — CID 60577408

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C18H23N3O3/c1-4-10-23-15-8-5-7-14(12-15)20-18(22)19-13-16(21(2)3)17-9-6-11-24-17/h4-9,11-12,16H,1,10,13H2,2-3H3,(H2,19,20,22)
InChIKeyQVAHZQXSTHKUBZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.27
Rot. Bonds8

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea (PubChem CID 60577408) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
PubChem CID60577408
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C18H23N3O3/c1-4-10-23-15-8-5-7-14(12-15)20-18(22)19-13-16(21(2)3)17-9-6-11-24-17/h4-9,11-12,16H,1,10,13H2,2-3H3,(H2,19,20,22)
InChIKeyQVAHZQXSTHKUBZ-UHFFFAOYSA-N
XLogP3.27
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea
CID 60569811
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109461476
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 16875563
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86988466
4-[(3-prop-2-enoxyphenyl)carbamoylamino]butanoic acid
CID 122077767
1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
CID 60576890

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea (CID 60577408) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea is C=CCOc1cccc(NC(=O)NCC(c2ccco2)N(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea?
The InChIKey is QVAHZQXSTHKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-10-23-15-8-5-7-14(12-15)20-18(22)19-13-16(21(2)3)17-9-6-11-24-17/h4-9,11-12,16H,1,10,13H2,2-3H3,(H2,19,20,22).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea has a molecular weight of 329.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea is sourced from PubChem (CID 60577408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).