2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide

C15H23N3O3 — CID 62167944

IUPAC2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCC
InChIInChI=1S/C15H23N3O3/c1-4-6-7-10-17(3)15(19)13-11-12(18(20)21)8-9-14(13)16-5-2/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeySFXUIZBKFOGLCE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.29
Rot. Bonds8

About 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide

2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide (PubChem CID 62167944) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
PubChem CID62167944
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCC
InChIInChI=1S/C15H23N3O3/c1-4-6-7-10-17(3)15(19)13-11-12(18(20)21)8-9-14(13)16-5-2/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeySFXUIZBKFOGLCE-UHFFFAOYSA-N
XLogP3.29
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.29
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

2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 62178015
2,3-dichloro-N-methyl-5-nitro-N-pentylbenzamide
CID 107187436
5-nitro-2-(pentylamino)benzoic acid
CID 29269659
N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
CID 62168899
N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide
CID 62166351
2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
CID 82734470
N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
CID 103803326
2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338594
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide?
The IUPAC name of 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide (CID 62167944) is 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide is CCCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCC.
What is the InChIKey of 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide?
The InChIKey is SFXUIZBKFOGLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-6-7-10-17(3)15(19)13-11-12(18(20)21)8-9-14(13)16-5-2/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide?
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide is sourced from PubChem (CID 62167944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).