4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide

C14H20N4O3 — CID 82993221

IUPAC4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1ccc(NCC(N)C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-17(2)14(19)10-5-6-12(13(7-10)18(20)21)16-8-11(15)9-3-4-9/h5-7,9,11,16H,3-4,8,15H2,1-2H3
InChIKeyGZOXBUAGNXFYMQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.45
Rot. Bonds6

About 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide

4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide (PubChem CID 82993221) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide
PubChem CID82993221
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1ccc(NCC(N)C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-17(2)14(19)10-5-6-12(13(7-10)18(20)21)16-8-11(15)9-3-4-9/h5-7,9,11,16H,3-4,8,15H2,1-2H3
InChIKeyGZOXBUAGNXFYMQ-UHFFFAOYSA-N
XLogP1.45
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
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

3-[4-(dimethylcarbamoyl)-2-nitroanilino]-2-methylpropanoic acid
CID 82989398
N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
CID 82990261
1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 115301485
4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82989700
N,N-dimethyl-3-nitro-4-(thiolan-3-ylmethylamino)benzamide
CID 107296627
4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82993209
2-[4-(dimethylcarbamoyl)-2-nitroanilino]acetic acid
CID 82989393
4-[(1-aminocyclobutyl)methylamino]-N,N-dimethyl-3-nitrobenzamide
CID 103354037
N,N-dimethyl-3-nitro-4-(thiolan-2-ylmethylamino)benzamide
CID 82992276
N,N-dimethyl-3-nitro-4-(pyrrolidin-3-ylmethylamino)benzamide
CID 82993219
3-[(2-amino-3-hydroxybutyl)amino]-N,N-dimethyl-4-nitrobenzamide
CID 82990915
N,N-dimethyl-3-nitro-4-(pentan-3-ylamino)benzamide
CID 82993205

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide?
The IUPAC name of 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide (CID 82993221) is 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide?
The canonical SMILES for 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide is CN(C)C(=O)c1ccc(NCC(N)C2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide?
The InChIKey is GZOXBUAGNXFYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17(2)14(19)10-5-6-12(13(7-10)18(20)21)16-8-11(15)9-3-4-9/h5-7,9,11,16H,3-4,8,15H2,1-2H3.
What are the key properties of 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide?
4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 82993221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).