3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea

C16H25N3O2 — CID 82730912

IUPAC3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea
SMILESCCNC(C)c1ccc(NC(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C16H25N3O2/c1-4-17-12(2)13-5-7-14(8-6-13)18-16(20)19(3)15-9-10-21-11-15/h5-8,12,15,17H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyAXYDTTIFMNQOPJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.61
Rot. Bonds5

About 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea

3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea (PubChem CID 82730912) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea.

Molecular Properties

Compound Name3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea
PubChem CID82730912
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea
SMILESCCNC(C)c1ccc(NC(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C16H25N3O2/c1-4-17-12(2)13-5-7-14(8-6-13)18-16(20)19(3)15-9-10-21-11-15/h5-8,12,15,17H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyAXYDTTIFMNQOPJ-UHFFFAOYSA-N
XLogP2.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(oxan-4-yl)urea
CID 61340045
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403
3-(3-aminophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 82739651
1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339495
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea
CID 63962271
1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043794
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1,1-bis(cyanomethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61342198
1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61339846

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea?
The IUPAC name of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea (CID 82730912) is 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea.
What is the SMILES notation for 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea?
The canonical SMILES for 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea is CCNC(C)c1ccc(NC(=O)N(C)C2CCOC2)cc1.
What is the InChIKey of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea?
The InChIKey is AXYDTTIFMNQOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-17-12(2)13-5-7-14(8-6-13)18-16(20)19(3)15-9-10-21-11-15/h5-8,12,15,17H,4,9-11H2,1-3H3,(H,18,20).
What are the key properties of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea?
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea has a molecular weight of 291.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea is sourced from PubChem (CID 82730912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).