1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea

C16H21N3O2 — CID 62524269

IUPAC1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
SMILESCNC(C)c1ccc(NC(=O)NCc2ccc(C)o2)cc1
InChIInChI=1S/C16H21N3O2/c1-11-4-9-15(21-11)10-18-16(20)19-14-7-5-13(6-8-14)12(2)17-3/h4-9,12,17H,10H2,1-3H3,(H2,18,19,20)
InChIKeySEAODASDFRQPAO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.19
Rot. Bonds5

About 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea

1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 62524269) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
PubChem CID62524269
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
SMILESCNC(C)c1ccc(NC(=O)NCc2ccc(C)o2)cc1
InChIInChI=1S/C16H21N3O2/c1-11-4-9-15(21-11)10-18-16(20)19-14-7-5-13(6-8-14)12(2)17-3/h4-9,12,17H,10H2,1-3H3,(H2,18,19,20)
InChIKeySEAODASDFRQPAO-UHFFFAOYSA-N
XLogP3.19
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 62056596
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 106407539
1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea
CID 74228702
1-(2,3-dimethylbutyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 64598884
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62524083
N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61341674
1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 23855015
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
2-bromo-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 115296876
4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 72871951
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea (CID 62524269) is 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea is CNC(C)c1ccc(NC(=O)NCc2ccc(C)o2)cc1.
What is the InChIKey of 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is SEAODASDFRQPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-9-15(21-11)10-18-16(20)19-14-7-5-13(6-8-14)12(2)17-3/h4-9,12,17H,10H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea?
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 287.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 62524269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).