N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide

C14H19N3O4 — CID 116651849

IUPACN-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C14H19N3O4/c1-16(12(8-15)9-3-4-9)14(18)11-6-5-10(17(19)20)7-13(11)21-2/h5-7,9,12H,3-4,8,15H2,1-2H3
InChIKeyRLDZNSOQBBBRMU-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.41
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide

N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide (PubChem CID 116651849) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide
PubChem CID116651849
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C14H19N3O4/c1-16(12(8-15)9-3-4-9)14(18)11-6-5-10(17(19)20)7-13(11)21-2/h5-7,9,12H,3-4,8,15H2,1-2H3
InChIKeyRLDZNSOQBBBRMU-UHFFFAOYSA-N
XLogP1.41
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
N-(3-aminopropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783869
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783836
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrothiophene-3-carboxamide
CID 116651976
N-(2-bromopropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 113452723
2-methoxy-4-nitrobenzoate
CID 6995516
N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783706
N-(2-cyanoethyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783369
2-[(2-methoxy-4-nitrobenzoyl)-propan-2-ylamino]acetic acid
CID 104783267
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 116651623
1-cyclopropyl-N-methyl-N-[1-(4-nitrophenyl)ethyl]ethane-1,2-diamine
CID 116651231
methyl 2-methoxy-4-nitrobenzoate
CID 10798535

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide (CID 116651849) is N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide is COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide?
The InChIKey is RLDZNSOQBBBRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16(12(8-15)9-3-4-9)14(18)11-6-5-10(17(19)20)7-13(11)21-2/h5-7,9,12H,3-4,8,15H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide?
N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 116651849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).