5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide

C15H21N3O3 — CID 63863167

IUPAC5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC2C)c1
InChIInChI=1S/C15H21N3O3/c1-4-16-12-5-6-14(18(20)21)13(8-12)15(19)17(3)9-11-7-10(11)2/h5-6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyISRDGJHPKIOQPC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.75
Rot. Bonds6

About 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide

5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide (PubChem CID 63863167) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
PubChem CID63863167
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC2C)c1
InChIInChI=1S/C15H21N3O3/c1-4-16-12-5-6-14(18(20)21)13(8-12)15(19)17(3)9-11-7-10(11)2/h5-6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyISRDGJHPKIOQPC-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 102741846
N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
CID 62180251
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
5-(ethylamino)-N-(2-methylcyclopropyl)-2-nitrobenzamide
CID 62408662
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
4-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63863717
N-(2-cyanopropyl)-5-(ethylamino)-N-methyl-2-nitrobenzamide
CID 62180143
(3,4-dihydroxypyrrolidin-1-yl)-[5-(ethylamino)-2-nitrophenyl]methanone
CID 106673753
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
5-(ethylamino)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-nitrobenzamide
CID 115987287
N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 62179542
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide?
The IUPAC name of 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide (CID 63863167) is 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide?
The canonical SMILES for 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide is CCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC2C)c1.
What is the InChIKey of 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide?
The InChIKey is ISRDGJHPKIOQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-16-12-5-6-14(18(20)21)13(8-12)15(19)17(3)9-11-7-10(11)2/h5-6,8,10-11,16H,4,7,9H2,1-3H3.
What are the key properties of 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide?
5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 63863167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).