1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea

C16H21N3O2 — CID 61426804

IUPAC1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)N(C)Cc2ccoc2)c1
InChIInChI=1S/C16H21N3O2/c1-12(17-2)14-5-4-6-15(9-14)18-16(20)19(3)10-13-7-8-21-11-13/h4-9,11-12,17H,10H2,1-3H3,(H,18,20)
InChIKeyPUWNHLWVXSDJFB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.22
Rot. Bonds5

About 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea

1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 61426804) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
PubChem CID61426804
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)N(C)Cc2ccoc2)c1
InChIInChI=1S/C16H21N3O2/c1-12(17-2)14-5-4-6-15(9-14)18-16(20)19(3)10-13-7-8-21-11-13/h4-9,11-12,17H,10H2,1-3H3,(H,18,20)
InChIKeyPUWNHLWVXSDJFB-UHFFFAOYSA-N
XLogP3.22
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea
CID 61340217
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(2-methylbutyl)urea
CID 61339498
1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754
1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63657389
1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63008742
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 104553891
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61422318
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 61340772

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea (CID 61426804) is 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1cccc(NC(=O)N(C)Cc2ccoc2)c1.
What is the InChIKey of 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is PUWNHLWVXSDJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(17-2)14-5-4-6-15(9-14)18-16(20)19(3)10-13-7-8-21-11-13/h4-9,11-12,17H,10H2,1-3H3,(H,18,20).
What are the key properties of 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 287.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61426804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).