1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea

C16H27N3O2 — CID 82938648

IUPAC1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea
SMILESCNC(C)c1ccc(NC(=O)N(CCOC)C(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-12(2)19(10-11-21-5)16(20)18-15-8-6-14(7-9-15)13(3)17-4/h6-9,12-13,17H,10-11H2,1-5H3,(H,18,20)
InChIKeyDMJCNPVIKUFINY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds7

About 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea

1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea (PubChem CID 82938648) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea
PubChem CID82938648
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea
SMILESCNC(C)c1ccc(NC(=O)N(CCOC)C(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-12(2)19(10-11-21-5)16(20)18-15-8-6-14(7-9-15)13(3)17-4/h6-9,12-13,17H,10-11H2,1-5H3,(H,18,20)
InChIKeyDMJCNPVIKUFINY-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-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
CID 81043795
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 82951035
3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61184948
1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
CID 55151509
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
4-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507626
1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63008742
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 82938747

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea?
The IUPAC name of 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea (CID 82938648) is 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea is CNC(C)c1ccc(NC(=O)N(CCOC)C(C)C)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea?
The InChIKey is DMJCNPVIKUFINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)19(10-11-21-5)16(20)18-15-8-6-14(7-9-15)13(3)17-4/h6-9,12-13,17H,10-11H2,1-5H3,(H,18,20).
What are the key properties of 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea?
1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea 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 1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea is sourced from PubChem (CID 82938648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).