1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea

C20H26N3O2+ — CID 2325919

IUPAC1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea
SMILESC[C@@H](NC(=O)Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C20H25N3O2/c1-16(21-20(24)22-18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)23-12-14-25-15-13-23/h2-11,16,19H,12-15H2,1H3,(H2,21,22,24)/p+1/t16-,19-/m1/s1
InChIKeyQNVUZVLYTMKDEP-VQIMIIECSA-O
MW340.45 g/mol
LogP1.85
Rot. Bonds5

About 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea

1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea (PubChem CID 2325919) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea
PubChem CID2325919
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Name1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea
SMILESC[C@@H](NC(=O)Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C20H25N3O2/c1-16(21-20(24)22-18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)23-12-14-25-15-13-23/h2-11,16,19H,12-15H2,1H3,(H2,21,22,24)/p+1/t16-,19-/m1/s1
InChIKeyQNVUZVLYTMKDEP-VQIMIIECSA-O
XLogP1.85
TPSA54.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]urea
CID 2326049
4-chloro-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328030
1-(3-methylphenyl)-3-[(1R,2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenylpropan-2-yl]urea
CID 2149918
1-(4-ethylphenyl)-3-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656636
5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510659
5-methyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510663
2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 2510636
1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 7111012
1-(4-ethoxyphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656522
1-(4-ethoxyphenyl)-3-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656513
2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 8558211
1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-(2-phenylethyl)thiourea
CID 8679200

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea?
The IUPAC name of 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea (CID 2325919) is 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea is C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCOCC1.
What is the InChIKey of 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea?
The InChIKey is QNVUZVLYTMKDEP-VQIMIIECSA-O. The full InChI is InChI=1S/C20H25N3O2/c1-16(21-20(24)22-18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)23-12-14-25-15-13-23/h2-11,16,19H,12-15H2,1H3,(H2,21,22,24)/p+1/t16-,19-/m1/s1.
What are the key properties of 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea?
1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea has a molecular weight of 340.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea is sourced from PubChem (CID 2325919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).