1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea

C18H24BrN3O2 — CID 155969320

IUPAC1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea
SMILESCCN(CCNC(=O)NCCc1ccoc1)Cc1cccc(Br)c1
InChIInChI=1S/C18H24BrN3O2/c1-2-22(13-16-4-3-5-17(19)12-16)10-9-21-18(23)20-8-6-15-7-11-24-14-15/h3-5,7,11-12,14H,2,6,8-10,13H2,1H3,(H2,20,21,23)
InChIKeyMIHNISRXPLWWMI-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.41
Rot. Bonds9

About 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea

1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea (PubChem CID 155969320) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea
PubChem CID155969320
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea
SMILESCCN(CCNC(=O)NCCc1ccoc1)Cc1cccc(Br)c1
InChIInChI=1S/C18H24BrN3O2/c1-2-22(13-16-4-3-5-17(19)12-16)10-9-21-18(23)20-8-6-15-7-11-24-14-15/h3-5,7,11-12,14H,2,6,8-10,13H2,1H3,(H2,20,21,23)
InChIKeyMIHNISRXPLWWMI-UHFFFAOYSA-N
XLogP3.41
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(3-bromophenyl)methyl-ethylamino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381923
1-[2-(furan-3-yl)ethyl]-3-(2-methoxyethyl)urea
CID 71798548
N'-[(3-bromophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 782623
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
CID 78918049
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[2-(3-bromophenyl)ethyl]-3-pentan-3-ylurea
CID 108888425
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide
CID 47046081
1-[2-(3-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891452
N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558207

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea?
The IUPAC name of 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea (CID 155969320) is 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea is CCN(CCNC(=O)NCCc1ccoc1)Cc1cccc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea?
The InChIKey is MIHNISRXPLWWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c1-2-22(13-16-4-3-5-17(19)12-16)10-9-21-18(23)20-8-6-15-7-11-24-14-15/h3-5,7,11-12,14H,2,6,8-10,13H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea?
1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea has a molecular weight of 394.31 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methyl-ethylamino]ethyl]-3-[2-(furan-3-yl)ethyl]urea is sourced from PubChem (CID 155969320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).