N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide

C15H21N3O3 — CID 62168899

IUPACN-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)C1CC1
InChIInChI=1S/C15H21N3O3/c1-4-16-14-8-7-12(18(20)21)9-13(14)15(19)17(3)10(2)11-5-6-11/h7-11,16H,4-6H2,1-3H3
InChIKeyPJAXZHDEALXSKJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.90
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide

N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide (PubChem CID 62168899) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
PubChem CID62168899
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)C1CC1
InChIInChI=1S/C15H21N3O3/c1-4-16-14-8-7-12(18(20)21)9-13(14)15(19)17(3)10(2)11-5-6-11/h7-11,16H,4-6H2,1-3H3
InChIKeyPJAXZHDEALXSKJ-UHFFFAOYSA-N
XLogP2.90
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.90
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

N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide
CID 62166351
N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 62178015
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944
2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
CID 82734470
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 62244026
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
CID 62181755
2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
CID 62170102
2-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961456
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide (CID 62168899) is N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide is CCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide?
The InChIKey is PJAXZHDEALXSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-16-14-8-7-12(18(20)21)9-13(14)15(19)17(3)10(2)11-5-6-11/h7-11,16H,4-6H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide?
N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 62168899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).