N-[3-(diethylamino)propyl]-2-nitrobenzamide

C14H21N3O3 — CID 3286089

IUPACN-[3-(diethylamino)propyl]-2-nitrobenzamide
SMILESCCN(CC)CCCNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-3-16(4-2)11-7-10-15-14(18)12-8-5-6-9-13(12)17(19)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,18)
InChIKeyWZKDEOZFWVKYOY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.06
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-nitrobenzamide

N-[3-(diethylamino)propyl]-2-nitrobenzamide (PubChem CID 3286089) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-nitrobenzamide
PubChem CID3286089
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[3-(diethylamino)propyl]-2-nitrobenzamide
SMILESCCN(CC)CCCNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-3-16(4-2)11-7-10-15-14(18)12-8-5-6-9-13(12)17(19)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,18)
InChIKeyWZKDEOZFWVKYOY-UHFFFAOYSA-N
XLogP2.06
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(diethylamino)ethyl]-2-nitrobenzamide
CID 15943
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
N-(3-chloropropyl)-2-nitrobenzamide
CID 3113440
N-(3-iodopropyl)-2-nitrobenzamide
CID 114504241
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 41439050
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
N-[3-(diethylamino)propyl]-4-nitrobenzamide
CID 3278137
4-chloro-N-[3-(diethylamino)propyl]-3,5-dinitrobenzamide
CID 4634092
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-nitrobenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-nitrobenzamide (CID 3286089) is N-[3-(diethylamino)propyl]-2-nitrobenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-nitrobenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-nitrobenzamide is CCN(CC)CCCNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[3-(diethylamino)propyl]-2-nitrobenzamide?
The InChIKey is WZKDEOZFWVKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-16(4-2)11-7-10-15-14(18)12-8-5-6-9-13(12)17(19)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(diethylamino)propyl]-2-nitrobenzamide?
N-[3-(diethylamino)propyl]-2-nitrobenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-nitrobenzamide is sourced from PubChem (CID 3286089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).