N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide

C19H21N3O5 — CID 50887207

IUPACN-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
SMILESCCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc([N+](=O)[O-])c1OCC
InChIInChI=1S/C19H21N3O5/c1-4-26-18-11-14(10-17(22(24)25)19(18)27-5-2)12-20-15-6-8-16(9-7-15)21-13(3)23/h6-12H,4-5H2,1-3H3,(H,21,23)/b20-12+
InChIKeySTRYIVSFMKWNEO-UDWIEESQSA-N
MW371.39 g/mol
LogP4.10
Rot. Bonds8

About N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide

N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide (PubChem CID 50887207) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
PubChem CID50887207
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
SMILESCCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc([N+](=O)[O-])c1OCC
InChIInChI=1S/C19H21N3O5/c1-4-26-18-11-14(10-17(22(24)25)19(18)27-5-2)12-20-15-6-8-16(9-7-15)21-13(3)23/h6-12H,4-5H2,1-3H3,(H,21,23)/b20-12+
InChIKeySTRYIVSFMKWNEO-UDWIEESQSA-N
XLogP4.10
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide
CID 833853
2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
CID 137059464
N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514737
4-chloro-N-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]aniline
CID 50887152
N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
CID 137173872
N-[4-[(4-bromo-3-nitrophenyl)methylideneamino]phenyl]acetamide
CID 3598154
1-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylurea
CID 110508812
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 110512071
N-[(E)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylideneamino]methanamine
CID 110507305
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide (CID 50887207) is N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide is CCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc([N+](=O)[O-])c1OCC.
What is the InChIKey of N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide?
The InChIKey is STRYIVSFMKWNEO-UDWIEESQSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-4-26-18-11-14(10-17(22(24)25)19(18)27-5-2)12-20-15-6-8-16(9-7-15)21-13(3)23/h6-12H,4-5H2,1-3H3,(H,21,23)/b20-12+.
What are the key properties of N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide?
N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 50887207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).