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

C15H25N3O2 — CID 63008742

IUPAC1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)N(C)CCCOC)c1
InChIInChI=1S/C15H25N3O2/c1-12(16-2)13-7-5-8-14(11-13)17-15(19)18(3)9-6-10-20-4/h5,7-8,11-12,16H,6,9-10H2,1-4H3,(H,17,19)
InChIKeyBUMZNJMVVUOQOL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.47
Rot. Bonds7

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

1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 63008742) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
PubChem CID63008742
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)N(C)CCCOC)c1
InChIInChI=1S/C15H25N3O2/c1-12(16-2)13-7-5-8-14(11-13)17-15(19)18(3)9-6-10-20-4/h5,7-8,11-12,16H,6,9-10H2,1-4H3,(H,17,19)
InChIKeyBUMZNJMVVUOQOL-UHFFFAOYSA-N
XLogP2.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754
3-[3-(aminomethyl)phenyl]-1-(3-methoxypropyl)-1-methylurea
CID 55140706
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(2-methylbutyl)urea
CID 61339498
1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63657389
1-(2-ethoxyethyl)-3-[3-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043707
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 104553891
1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61426804
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea
CID 61340217
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
CID 81043795
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea
CID 61455487

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea (CID 63008742) is 1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1cccc(NC(=O)N(C)CCCOC)c1.
What is the InChIKey of 1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is BUMZNJMVVUOQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(16-2)13-7-5-8-14(11-13)17-15(19)18(3)9-6-10-20-4/h5,7-8,11-12,16H,6,9-10H2,1-4H3,(H,17,19).
What are the key properties of 1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 279.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 63008742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).