1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea

C18H28N4O4 — CID 55695385

IUPAC1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea
SMILESCc1c(NC(=O)NCC(CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H28N4O4/c1-13(2)11-15(21-7-9-26-10-8-21)12-19-18(23)20-16-5-4-6-17(14(16)3)22(24)25/h4-6,13,15H,7-12H2,1-3H3,(H2,19,20,23)
InChIKeyYCIPCEHVJMJNRK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.77
Rot. Bonds7

About 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea

1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea (PubChem CID 55695385) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea.

Molecular Properties

Compound Name1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea
PubChem CID55695385
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea
SMILESCc1c(NC(=O)NCC(CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H28N4O4/c1-13(2)11-15(21-7-9-26-10-8-21)12-19-18(23)20-16-5-4-6-17(14(16)3)22(24)25/h4-6,13,15H,7-12H2,1-3H3,(H2,19,20,23)
InChIKeyYCIPCEHVJMJNRK-UHFFFAOYSA-N
XLogP2.77
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.77
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-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea
CID 52518973
2-methyl-3-[(2-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 107810997
3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide
CID 30470681
1-(3-ethyl-2-hydroxypentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 111116780
1-(2-methyl-3-nitrophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 47032405
1-(3-hydroxybutyl)-3-(2-methyl-3-nitrophenyl)urea
CID 111336778
(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 78968953
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 55520723
1-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 111120461
N-[2-methoxy-4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]phenyl]acetamide
CID 55744114
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 109388781

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea?
The IUPAC name of 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea (CID 55695385) is 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea.
What is the SMILES notation for 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea?
The canonical SMILES for 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea is Cc1c(NC(=O)NCC(CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea?
The InChIKey is YCIPCEHVJMJNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-13(2)11-15(21-7-9-26-10-8-21)12-19-18(23)20-16-5-4-6-17(14(16)3)22(24)25/h4-6,13,15H,7-12H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea?
1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea has a molecular weight of 364.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea is sourced from PubChem (CID 55695385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).