4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide

C15H23N3O3 — CID 62200101

IUPAC4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide
SMILESCCCCC(C)NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-4-6-7-11(3)17-15(19)12-8-9-13(16-5-2)14(10-12)18(20)21/h8-11,16H,4-7H2,1-3H3,(H,17,19)
InChIKeyPCGKBWOVDLCZAT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.34
Rot. Bonds8

About 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide

4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide (PubChem CID 62200101) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide
PubChem CID62200101
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide
SMILESCCCCC(C)NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-4-6-7-11(3)17-15(19)12-8-9-13(16-5-2)14(10-12)18(20)21/h8-11,16H,4-7H2,1-3H3,(H,17,19)
InChIKeyPCGKBWOVDLCZAT-UHFFFAOYSA-N
XLogP3.34
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
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

4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473
4-fluoro-N-hexan-2-yl-3-nitrobenzamide
CID 62198938
4-(cyclopropylamino)-N-heptan-2-yl-3-nitrobenzamide
CID 42988195
N-heptan-2-yl-3-methyl-4-nitrobenzamide
CID 3452244
3-methyl-4-nitro-N-octan-2-ylbenzamide
CID 43020760
N-(1-amino-1-oxopropan-2-yl)-3-nitro-4-(propylamino)benzamide
CID 62169726
N-butyl-4-(butylamino)-3-nitrobenzamide
CID 10957327
N-ethyl-3-nitro-4-(pentan-2-ylamino)benzamide
CID 82990993
N-ethyl-4-(2-methylpropylamino)-3-nitrobenzamide
CID 82993350
4-amino-3-chloro-N-hexan-2-yl-5-nitrobenzamide
CID 62199360
3-(ethylamino)-N-hexan-3-yl-4-nitrobenzamide
CID 62680325
3-methyl-4-nitro-N-[(2R)-pentan-2-yl]benzamide
CID 873806

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide?
The IUPAC name of 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide (CID 62200101) is 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide.
What is the SMILES notation for 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide?
The canonical SMILES for 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide is CCCCC(C)NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide?
The InChIKey is PCGKBWOVDLCZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-6-7-11(3)17-15(19)12-8-9-13(16-5-2)14(10-12)18(20)21/h8-11,16H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide?
4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide is sourced from PubChem (CID 62200101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).