(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate

C14H19N3O5 — CID 155782764

IUPAC(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate
SMILESO=C(NCCCN1CCOCC1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O5/c18-14(15-6-1-7-16-8-10-21-11-9-16)22-13-4-2-12(3-5-13)17(19)20/h2-5H,1,6-11H2,(H,15,18)
InChIKeyIRZJPEQCKBXJMB-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.41
Rot. Bonds6

About (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate

(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate (PubChem CID 155782764) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate
PubChem CID155782764
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate
SMILESO=C(NCCCN1CCOCC1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O5/c18-14(15-6-1-7-16-8-10-21-11-9-16)22-13-4-2-12(3-5-13)17(19)20/h2-5H,1,6-11H2,(H,15,18)
InChIKeyIRZJPEQCKBXJMB-UHFFFAOYSA-N
XLogP1.41
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269
1-(2-morpholin-4-ylethyl)-3-(3-morpholin-4-ylpropyl)-2-[(4-nitrophenyl)methyl]guanidine
CID 111187725
2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
CID 177431935
N-(3-morpholin-4-ylpropyl)-N'-[(4-nitrophenyl)methyl]pyrrolidine-1-carboximidamide
CID 110956062
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518532
4-acetyl-N-(3-morpholin-4-ylpropyl)-N'-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide
CID 110963289
(4-nitrophenyl) morpholine-4-carboxylate
CID 735624
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
1-(3-morpholin-4-ylpropyl)-2-[(4-nitrophenyl)methyl]-3-(2-phenoxyethyl)guanidine
CID 111005779
N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide
CID 66745649
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667
(4-nitrophenyl) N-(2-methylsulfanylethyl)carbamate
CID 86123043

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate?
The IUPAC name of (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate (CID 155782764) is (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate.
What is the SMILES notation for (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate?
The canonical SMILES for (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate is O=C(NCCCN1CCOCC1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate?
The InChIKey is IRZJPEQCKBXJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c18-14(15-6-1-7-16-8-10-21-11-9-16)22-13-4-2-12(3-5-13)17(19)20/h2-5H,1,6-11H2,(H,15,18).
What are the key properties of (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate?
(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate has a molecular weight of 309.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate is sourced from PubChem (CID 155782764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).