N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide

C14H19N3O4 — CID 107363049

IUPACN-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide
SMILESCC(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])N(C)C1CC1
InChIInChI=1S/C14H19N3O4/c1-9(16(2)10-3-4-10)8-15-14(19)12-7-11(18)5-6-13(12)17(20)21/h5-7,9-10,18H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyNEHPRXZAMHYUKV-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.51
Rot. Bonds6

About N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide

N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide (PubChem CID 107363049) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide
PubChem CID107363049
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide
SMILESCC(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])N(C)C1CC1
InChIInChI=1S/C14H19N3O4/c1-9(16(2)10-3-4-10)8-15-14(19)12-7-11(18)5-6-13(12)17(20)21/h5-7,9-10,18H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyNEHPRXZAMHYUKV-UHFFFAOYSA-N
XLogP1.51
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.51
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

5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753
5-hydroxy-2-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 107076426
N-[3-(dimethylamino)propyl]-5-hydroxy-2-nitrobenzamide
CID 102740857
5-hydroxy-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 102741836
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
CID 107076386
N-[2-[cyclopropyl(methyl)amino]propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717932
N-[2-[cyclopropyl(methyl)amino]propyl]-3-hydroxypyridine-4-carboxamide
CID 103762346
N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide
CID 113230894
1-N-(4-chloro-2-nitrophenyl)-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103080726
N-(3,3-dimethylbutyl)-5-hydroxy-2-nitrobenzamide
CID 107076627
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide (CID 107363049) is N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide is CC(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])N(C)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide?
The InChIKey is NEHPRXZAMHYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(16(2)10-3-4-10)8-15-14(19)12-7-11(18)5-6-13(12)17(20)21/h5-7,9-10,18H,3-4,8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide?
N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 107363049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).