3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea

C16H27N3O2 — CID 61455487

IUPAC3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea
SMILESCCNC(C)c1cccc(NC(=O)N(C)C(C)COC)c1
InChIInChI=1S/C16H27N3O2/c1-6-17-13(3)14-8-7-9-15(10-14)18-16(20)19(4)12(2)11-21-5/h7-10,12-13,17H,6,11H2,1-5H3,(H,18,20)
InChIKeyVPZXSOGKLWRZNH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds7

About 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea

3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea (PubChem CID 61455487) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea.

Molecular Properties

Compound Name3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea
PubChem CID61455487
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea
SMILESCCNC(C)c1cccc(NC(=O)N(C)C(C)COC)c1
InChIInChI=1S/C16H27N3O2/c1-6-17-13(3)14-8-7-9-15(10-14)18-16(20)19(4)12(2)11-21-5/h7-10,12-13,17H,6,11H2,1-5H3,(H,18,20)
InChIKeyVPZXSOGKLWRZNH-UHFFFAOYSA-N
XLogP2.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyethyl)-3-[3-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043707
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 104553891
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
2-hydroxy-5-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 61452540
N-[3-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenyl]acetamide
CID 62844299
1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754
1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63008742
1-(4-amino-4-sulfanylidenebutan-2-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 63223281
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea?
The IUPAC name of 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea (CID 61455487) is 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea.
What is the SMILES notation for 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea?
The canonical SMILES for 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea is CCNC(C)c1cccc(NC(=O)N(C)C(C)COC)c1.
What is the InChIKey of 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea?
The InChIKey is VPZXSOGKLWRZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-17-13(3)14-8-7-9-15(10-14)18-16(20)19(4)12(2)11-21-5/h7-10,12-13,17H,6,11H2,1-5H3,(H,18,20).
What are the key properties of 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea?
3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea has a molecular weight of 293.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea is sourced from PubChem (CID 61455487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).