6-amino-2-methyl-N-(2-nitrophenyl)heptanamide

C14H21N3O3 — CID 65290463

IUPAC6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-10(6-5-7-11(2)15)14(18)16-12-8-3-4-9-13(12)17(19)20/h3-4,8-11H,5-7,15H2,1-2H3,(H,16,18)
InChIKeyFLLODQMQEAKCMS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.69
Rot. Bonds7

About 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide

6-amino-2-methyl-N-(2-nitrophenyl)heptanamide (PubChem CID 65290463) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
PubChem CID65290463
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-10(6-5-7-11(2)15)14(18)16-12-8-3-4-9-13(12)17(19)20/h3-4,8-11H,5-7,15H2,1-2H3,(H,16,18)
InChIKeyFLLODQMQEAKCMS-UHFFFAOYSA-N
XLogP2.69
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
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

6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide
CID 65290555
6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
CID 65290260
6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
CID 107625137
2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide
CID 66219199
1-ethoxy-3-(2-nitrophenyl)urea
CID 5118633
(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
CID 8712415
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
CID 8712413
6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide
CID 65290319
6-amino-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)heptanamide
CID 65293239
(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide (CID 65290463) is 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide is CC(N)CCCC(C)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide?
The InChIKey is FLLODQMQEAKCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(6-5-7-11(2)15)14(18)16-12-8-3-4-9-13(12)17(19)20/h3-4,8-11H,5-7,15H2,1-2H3,(H,16,18).
What are the key properties of 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide?
6-amino-2-methyl-N-(2-nitrophenyl)heptanamide has a molecular weight of 279.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(2-nitrophenyl)heptanamide is sourced from PubChem (CID 65290463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).