1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea

C18H19N3O4 — CID 31075821

IUPAC1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCC2(c3ccccc3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O4/c1-25-14-7-8-15(16(11-14)21(23)24)20-17(22)19-12-18(9-10-18)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyMRNWAEBWSPWKKL-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.46
Rot. Bonds6

About 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea

1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 31075821) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID31075821
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCC2(c3ccccc3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O4/c1-25-14-7-8-15(16(11-14)21(23)24)20-17(22)19-12-18(9-10-18)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyMRNWAEBWSPWKKL-UHFFFAOYSA-N
XLogP3.46
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213943
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
[1-[(4-methoxy-2-nitroanilino)methyl]cyclopentyl]methanol
CID 115360765
(2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 9445757
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-methoxy-2-nitrophenyl)urea
CID 33480288
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea (CID 31075821) is 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea is COc1ccc(NC(=O)NCC2(c3ccccc3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is MRNWAEBWSPWKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-14-7-8-15(16(11-14)21(23)24)20-17(22)19-12-18(9-10-18)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 341.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 31075821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).