1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea

C21H25N3O3 — CID 52509642

IUPAC1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O3/c1-15(17-6-8-20(9-7-17)24-10-12-27-13-11-24)22-21(26)23-19-5-3-4-18(14-19)16(2)25/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,26)/t15-/m1/s1
InChIKeyZNMMKNVUYHSGES-OAHLLOKOSA-N
MW367.45 g/mol
LogP3.61
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea

1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea (PubChem CID 52509642) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea
PubChem CID52509642
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O3/c1-15(17-6-8-20(9-7-17)24-10-12-27-13-11-24)22-21(26)23-19-5-3-4-18(14-19)16(2)25/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,26)/t15-/m1/s1
InChIKeyZNMMKNVUYHSGES-OAHLLOKOSA-N
XLogP3.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 48681572
1-[3-(4-tert-butylbenzoyl)phenyl]-3-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 100764227
1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147173
N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 55696566
1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 133231017
1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 133231041
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
CID 95130030
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea (CID 52509642) is 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea is CC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea?
The InChIKey is ZNMMKNVUYHSGES-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(17-6-8-20(9-7-17)24-10-12-27-13-11-24)22-21(26)23-19-5-3-4-18(14-19)16(2)25/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,26)/t15-/m1/s1.
What are the key properties of 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea?
1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea has a molecular weight of 367.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea is sourced from PubChem (CID 52509642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).