1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea

C22H30N4O2 — CID 97020119

IUPAC1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea
SMILESC[C@H](CNc1ccccc1)NC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17(16-23-20-6-4-3-5-7-20)24-22(27)25-21-10-8-19(9-11-21)18(2)26-12-14-28-15-13-26/h3-11,17-18,23H,12-16H2,1-2H3,(H2,24,25,27)/t17-,18-/m1/s1
InChIKeyYDONTRJGHORUBI-QZTJIDSGSA-N
MW382.51 g/mol
LogP3.70
Rot. Bonds7

About 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea

1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea (PubChem CID 97020119) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea
PubChem CID97020119
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea
SMILESC[C@H](CNc1ccccc1)NC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17(16-23-20-6-4-3-5-7-20)24-22(27)25-21-10-8-19(9-11-21)18(2)26-12-14-28-15-13-26/h3-11,17-18,23H,12-16H2,1-2H3,(H2,24,25,27)/t17-,18-/m1/s1
InChIKeyYDONTRJGHORUBI-QZTJIDSGSA-N
XLogP3.70
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea with MolForge

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Related Compounds

1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 129470856
2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride
CID 120596567
2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878378
(2R)-2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878404
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide
CID 112793827
1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[4-(1-morpholin-4-ylethyl)phenyl]urea
CID 56792871
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea
CID 99835806
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55504284
(2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide
CID 59639297

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea?
The IUPAC name of 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea (CID 97020119) is 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea.
What is the SMILES notation for 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea?
The canonical SMILES for 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea is C[C@H](CNc1ccccc1)NC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1.
What is the InChIKey of 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea?
The InChIKey is YDONTRJGHORUBI-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(16-23-20-6-4-3-5-7-20)24-22(27)25-21-10-8-19(9-11-21)18(2)26-12-14-28-15-13-26/h3-11,17-18,23H,12-16H2,1-2H3,(H2,24,25,27)/t17-,18-/m1/s1.
What are the key properties of 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea?
1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea has a molecular weight of 382.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea is sourced from PubChem (CID 97020119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).