1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea

C19H22N4O4 — CID 24626912

IUPAC1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
SMILESO=C(NCc1ccccc1CN1CCOCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O4/c24-19(21-17-6-3-7-18(12-17)23(25)26)20-13-15-4-1-2-5-16(15)14-22-8-10-27-11-9-22/h1-7,12H,8-11,13-14H2,(H2,20,21,24)
InChIKeyGZTJJDNMAWAGOS-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.75
Rot. Bonds6

About 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea

1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea (PubChem CID 24626912) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
PubChem CID24626912
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
SMILESO=C(NCc1ccccc1CN1CCOCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O4/c24-19(21-17-6-3-7-18(12-17)23(25)26)20-13-15-4-1-2-5-16(15)14-22-8-10-27-11-9-22/h1-7,12H,8-11,13-14H2,(H2,20,21,24)
InChIKeyGZTJJDNMAWAGOS-UHFFFAOYSA-N
XLogP2.75
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 134021384
4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide
CID 78810384
1-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-3-(3-nitrophenyl)urea
CID 47092617
4-[(2-fluorophenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 24626867
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)urea
CID 79529135
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 31444049

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea?
The IUPAC name of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea (CID 24626912) is 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea is O=C(NCc1ccccc1CN1CCOCC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea?
The InChIKey is GZTJJDNMAWAGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-19(21-17-6-3-7-18(12-17)23(25)26)20-13-15-4-1-2-5-16(15)14-22-8-10-27-11-9-22/h1-7,12H,8-11,13-14H2,(H2,20,21,24).
What are the key properties of 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea?
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea has a molecular weight of 370.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea is sourced from PubChem (CID 24626912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).