3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide

C17H23N3O4 — CID 99815045

IUPAC3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CCC2)C1
InChIInChI=1S/C17H23N3O4/c1-24-15-11-13(20(22)23)3-4-14(15)18-16(21)5-9-19-10-8-17(12-19)6-2-7-17/h3-4,11H,2,5-10,12H2,1H3,(H,18,21)
InChIKeyQPSRZENISPQAKZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.81
Rot. Bonds6

About 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide

3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide (PubChem CID 99815045) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
PubChem CID99815045
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CCC2)C1
InChIInChI=1S/C17H23N3O4/c1-24-15-11-13(20(22)23)3-4-14(15)18-16(21)5-9-19-10-8-17(12-19)6-2-7-17/h3-4,11H,2,5-10,12H2,1H3,(H,18,21)
InChIKeyQPSRZENISPQAKZ-UHFFFAOYSA-N
XLogP2.81
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
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-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide;hydrochloride
CID 120776285
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide;hydrochloride
CID 120774538
N-(2-methoxy-4-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716313
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
2-[1-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 4080153
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
3-(4-chloro-3-methylpyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19544002
3-(4-chloropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19542063

Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide?
The IUPAC name of 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide (CID 99815045) is 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide.
What is the SMILES notation for 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide?
The canonical SMILES for 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CCC2)C1.
What is the InChIKey of 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide?
The InChIKey is QPSRZENISPQAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-24-15-11-13(20(22)23)3-4-14(15)18-16(21)5-9-19-10-8-17(12-19)6-2-7-17/h3-4,11H,2,5-10,12H2,1H3,(H,18,21).
What are the key properties of 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide?
3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[3.4]octan-6-yl)-N-(2-methoxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 99815045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).