N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide

C16H21N3O4 — CID 78784079

IUPACN-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1[N+](=O)[O-])NCCCN1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-16(17-8-3-9-18-10-12-23-13-11-18)7-6-14-4-1-2-5-15(14)19(21)22/h1-2,4-7H,3,8-13H2,(H,17,20)
InChIKeySULYBWSDWMNQSC-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.45
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide

N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 78784079) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID78784079
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1[N+](=O)[O-])NCCCN1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-16(17-8-3-9-18-10-12-23-13-11-18)7-6-14-4-1-2-5-15(14)19(21)22/h1-2,4-7H,3,8-13H2,(H,17,20)
InChIKeySULYBWSDWMNQSC-UHFFFAOYSA-N
XLogP1.45
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-(4-methylpiperazin-1-yl)propyl]-3-(2-nitrophenyl)prop-2-enamide
CID 72684591
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-N-(5-hydroxypentyl)-3-(2-nitrophenyl)prop-2-enamide
CID 107319129
(E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 51159430
(E)-3-(2-nitrophenyl)-N-octylprop-2-enamide
CID 70513240
(E)-3-(2-nitrophenyl)-N-pent-4-ynylprop-2-enamide
CID 103709018
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
(E)-3-(2,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 90264836
N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine
CID 25268897
(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2166442
(E)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 1307715

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide (CID 78784079) is N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide is O=C(C=Cc1ccccc1[N+](=O)[O-])NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is SULYBWSDWMNQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-16(17-8-3-9-18-10-12-23-13-11-18)7-6-14-4-1-2-5-15(14)19(21)22/h1-2,4-7H,3,8-13H2,(H,17,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide?
N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 78784079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).