7-amino-N-(4-methyl-2-nitrophenyl)heptanamide

C14H21N3O3 — CID 43708379

IUPAC7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-11-7-8-12(13(10-11)17(19)20)16-14(18)6-4-2-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,18)
InChIKeyINEMSDFGJNLORD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.75
Rot. Bonds8

About 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide

7-amino-N-(4-methyl-2-nitrophenyl)heptanamide (PubChem CID 43708379) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
PubChem CID43708379
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-11-7-8-12(13(10-11)17(19)20)16-14(18)6-4-2-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,18)
InChIKeyINEMSDFGJNLORD-UHFFFAOYSA-N
XLogP2.75
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
[4-(6-aminohexanoylamino)-3-nitrophenyl]boronic acid
CID 22178836
6-amino-N-(4-cyano-2-nitrophenyl)hexanamide
CID 78965691
2-(2-aminoethylsulfanyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 84551895
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide
CID 104668158
N'-(4-methyl-2-nitrophenyl)butane-1,4-diamine
CID 60893804
N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide
CID 19173344
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
CID 119264091

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide?
The IUPAC name of 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide (CID 43708379) is 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide?
The canonical SMILES for 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide is Cc1ccc(NC(=O)CCCCCCN)c([N+](=O)[O-])c1.
What is the InChIKey of 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide?
The InChIKey is INEMSDFGJNLORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-7-8-12(13(10-11)17(19)20)16-14(18)6-4-2-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,18).
What are the key properties of 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide?
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide has a molecular weight of 279.34 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-methyl-2-nitrophenyl)heptanamide is sourced from PubChem (CID 43708379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).