3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea

C16H27N3O — CID 61339464

IUPAC3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C16H27N3O/c1-5-11-19(12-6-2)16(20)18-15-9-7-14(8-10-15)13(3)17-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeyWROOIPAKNQVPAU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds7

About 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea

3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea (PubChem CID 61339464) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
PubChem CID61339464
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C16H27N3O/c1-5-11-19(12-6-2)16(20)18-15-9-7-14(8-10-15)13(3)17-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20)
InChIKeyWROOIPAKNQVPAU-UHFFFAOYSA-N
XLogP3.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide
CID 82985299
1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
CID 81043795
1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea
CID 82938648
3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110890683
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
N-[4-[1-(methylamino)ethyl]phenyl]nonanamide
CID 65449865
3-[4-(1-aminoethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 61341512

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea?
The IUPAC name of 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea (CID 61339464) is 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea.
What is the SMILES notation for 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea?
The canonical SMILES for 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1ccc(C(C)NC)cc1.
What is the InChIKey of 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea?
The InChIKey is WROOIPAKNQVPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-11-19(12-6-2)16(20)18-15-9-7-14(8-10-15)13(3)17-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,18,20).
What are the key properties of 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea?
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea has a molecular weight of 277.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea is sourced from PubChem (CID 61339464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).