N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide

C14H19N3O3 — CID 63939145

IUPACN-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(NC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-3-16(9-10-4-5-10)14(18)12-8-11(15-2)6-7-13(12)17(19)20/h6-8,10,15H,3-5,9H2,1-2H3
InChIKeyPVKWGZZDQQFRNB-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.51
Rot. Bonds6

About N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide

N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide (PubChem CID 63939145) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
PubChem CID63939145
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(NC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-3-16(9-10-4-5-10)14(18)12-8-11(15-2)6-7-13(12)17(19)20/h6-8,10,15H,3-5,9H2,1-2H3
InChIKeyPVKWGZZDQQFRNB-UHFFFAOYSA-N
XLogP2.51
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 63954339
N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 107398303
N-cyclopropyl-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62170323
N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
CID 62180251
N-[2-(dimethylamino)ethyl]-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 63726710
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
N-(2-cyclopentylethyl)-5-(methylamino)-2-nitrobenzamide
CID 62180578
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide (CID 63939145) is N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide is CCN(CC1CC1)C(=O)c1cc(NC)ccc1[N+](=O)[O-].
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide?
The InChIKey is PVKWGZZDQQFRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-16(9-10-4-5-10)14(18)12-8-11(15-2)6-7-13(12)17(19)20/h6-8,10,15H,3-5,9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide?
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 63939145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).