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

C14H21N3O4 — CID 43708535

IUPAC7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CCCCCCN
InChIInChI=1S/C14H21N3O4/c1-21-13-10-11(17(19)20)7-8-12(13)16-14(18)6-4-2-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,18)
InChIKeyFKXJZALADYNAPC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.45
Rot. Bonds9

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

7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide (PubChem CID 43708535) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
PubChem CID43708535
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CCCCCCN
InChIInChI=1S/C14H21N3O4/c1-21-13-10-11(17(19)20)7-8-12(13)16-14(18)6-4-2-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,18)
InChIKeyFKXJZALADYNAPC-UHFFFAOYSA-N
XLogP2.45
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
N-[(2-methoxy-4-nitrophenyl)carbamothioyl]tetradecanamide
CID 54791153
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
N-(2-methoxy-4-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716313
3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 33403782
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide?
The IUPAC name of 7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide (CID 43708535) is 7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide?
The canonical SMILES for 7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide?
The InChIKey is FKXJZALADYNAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-21-13-10-11(17(19)20)7-8-12(13)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-(2-methoxy-4-nitrophenyl)heptanamide?
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide has a molecular weight of 295.34 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide is sourced from PubChem (CID 43708535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).