3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide

C15H19N3O3 — CID 115549135

IUPAC3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide
SMILESNc1cccc(C(=O)N(CC2CC2)CC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c16-13-3-1-2-12(14(13)18(20)21)15(19)17(8-10-4-5-10)9-11-6-7-11/h1-3,10-11H,4-9,16H2
InChIKeyVOXFYDUAIZSCQE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.44
Rot. Bonds6

About 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide

3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide (PubChem CID 115549135) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide
PubChem CID115549135
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide
SMILESNc1cccc(C(=O)N(CC2CC2)CC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c16-13-3-1-2-12(14(13)18(20)21)15(19)17(8-10-4-5-10)9-11-6-7-11/h1-3,10-11H,4-9,16H2
InChIKeyVOXFYDUAIZSCQE-UHFFFAOYSA-N
XLogP2.44
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

3-amino-N-cyclopropyl-N-(3-methylbutyl)-2-nitrobenzamide
CID 115548879
3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide
CID 115548734
3-amino-N-(2,2-dicyclopropylethyl)-2-nitrobenzamide
CID 115549225
3-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-nitrobenzamide
CID 115548590
N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
CID 114344418
3-amino-N-(cyclopropylmethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 112675324
3-amino-2-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115548779
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
(3-amino-2-nitrophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106673811
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-nitrobenzamide
CID 115549268
3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide?
The IUPAC name of 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide (CID 115549135) is 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide?
The canonical SMILES for 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide is Nc1cccc(C(=O)N(CC2CC2)CC2CC2)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide?
The InChIKey is VOXFYDUAIZSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-13-3-1-2-12(14(13)18(20)21)15(19)17(8-10-4-5-10)9-11-6-7-11/h1-3,10-11H,4-9,16H2.
What are the key properties of 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide?
3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide has a molecular weight of 289.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide is sourced from PubChem (CID 115549135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).