1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea

C17H24N4O5 — CID 42942600

IUPAC1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H24N4O5/c22-17(19-14-1-3-15(4-2-14)21(23)24)18-11-16(13-5-8-26-12-13)20-6-9-25-10-7-20/h1-4,13,16H,5-12H2,(H2,18,19,22)
InChIKeyLDSVLBRTXAFUNZ-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea

1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea (PubChem CID 42942600) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
PubChem CID42942600
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H24N4O5/c22-17(19-14-1-3-15(4-2-14)21(23)24)18-11-16(13-5-8-26-12-13)20-6-9-25-10-7-20/h1-4,13,16H,5-12H2,(H2,18,19,22)
InChIKeyLDSVLBRTXAFUNZ-UHFFFAOYSA-N
XLogP1.45
TPSA105.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
2-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-5-nitrobenzoic acid
CID 42943745
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide
CID 47090989
1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea
CID 95145881
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 51116384
1-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-3-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea
CID 98723345
1-[4-(2-chlorophenoxy)phenyl]-3-[2-(oxolan-3-yl)-2-pyrrolidin-1-ylethyl]urea
CID 47049754
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55792498
3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine
CID 94824919

Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea?
The IUPAC name of 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea (CID 42942600) is 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea is O=C(NCC(C1CCOC1)N1CCOCC1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea?
The InChIKey is LDSVLBRTXAFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c22-17(19-14-1-3-15(4-2-14)21(23)24)18-11-16(13-5-8-26-12-13)20-6-9-25-10-7-20/h1-4,13,16H,5-12H2,(H2,18,19,22).
What are the key properties of 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea?
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea has a molecular weight of 364.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea is sourced from PubChem (CID 42942600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).