1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea

C22H31N3O2 — CID 71056228

IUPAC1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
SMILESCCN(CCCN1CCOCC1)C(=O)N[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C22H31N3O2/c1-3-25(13-7-12-24-14-16-27-17-15-24)22(26)23-18(2)20-11-6-9-19-8-4-5-10-21(19)20/h4-6,8-11,18H,3,7,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyRRYAGRQLMVJQNS-SFHVURJKSA-N
MW369.51 g/mol
LogP3.65
Rot. Bonds7

About 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea

1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea (PubChem CID 71056228) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
PubChem CID71056228
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
SMILESCCN(CCCN1CCOCC1)C(=O)N[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C22H31N3O2/c1-3-25(13-7-12-24-14-16-27-17-15-24)22(26)23-18(2)20-11-6-9-19-8-4-5-10-21(19)20/h4-6,8-11,18H,3,7,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyRRYAGRQLMVJQNS-SFHVURJKSA-N
XLogP3.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-morpholin-4-ylpropyl(1-naphthalen-1-ylethylcarbamoyl)amino]methyl]benzoic acid
CID 69242484
1-[[4-(diethylsulfamoyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 59826189
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 59826247
1-[[4-(2-aminoethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;dihydrochloride
CID 69199650
1-[[4-(diethoxymethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea
CID 69240666
1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]-1-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]urea
CID 59826298
1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[(pyrrolidin-3-ylamino)methyl]phenyl]methyl]urea
CID 71050488
1-[[4-[2-[1H-imidazol-2-yl(methyl)amino]ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 69189353
1-[[4-(2-aminoethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea;methane;1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea
CID 161042660
1-[[4-[[3-[(Z)-benzylsulfonyliminomethyl]pyrrolidin-1-yl]methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-[(1R)-1-naphthalen-1-ylethyl]urea
CID 145471630
1-[[4-[[3-(benzylsulfonylamino)pyrrolidin-1-yl]methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea
CID 71050493
[3-tert-butyl-4-[[[4-[[3-morpholin-4-ylpropyl(1-naphthalen-1-ylethylcarbamoyl)amino]methyl]phenyl]sulfonylamino]methyl]phenyl]methylcarbamic acid
CID 69189923

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea?
The IUPAC name of 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea (CID 71056228) is 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea.
What is the SMILES notation for 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea?
The canonical SMILES for 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea is CCN(CCCN1CCOCC1)C(=O)N[C@@H](C)c1cccc2ccccc12.
What is the InChIKey of 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea?
The InChIKey is RRYAGRQLMVJQNS-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-25(13-7-12-24-14-16-27-17-15-24)22(26)23-18(2)20-11-6-9-19-8-4-5-10-21(19)20/h4-6,8-11,18H,3,7,12-17H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea?
1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea has a molecular weight of 369.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea is sourced from PubChem (CID 71056228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).