N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide

C17H21NO2 — CID 166428308

IUPACN-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1(c2cccc(OC)c2)CC2(CCC2)C1
InChIInChI=1S/C17H21NO2/c1-3-15(19)18-17(11-16(12-17)8-5-9-16)13-6-4-7-14(10-13)20-2/h3-4,6-7,10H,1,5,8-9,11-12H2,2H3,(H,18,19)
InChIKeyUXUDCYLBNYEMLX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide

N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide (PubChem CID 166428308) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide
PubChem CID166428308
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1(c2cccc(OC)c2)CC2(CCC2)C1
InChIInChI=1S/C17H21NO2/c1-3-15(19)18-17(11-16(12-17)8-5-9-16)13-6-4-7-14(10-13)20-2/h3-4,6-7,10H,1,5,8-9,11-12H2,2H3,(H,18,19)
InChIKeyUXUDCYLBNYEMLX-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009647
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide
CID 146095271
3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 154870795
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide
CID 86792000
N-[1-(3-methoxyphenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 16668235
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
N-[1-(3-methoxyphenyl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16674747

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide?
The IUPAC name of N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide (CID 166428308) is N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide is C=CC(=O)NC1(c2cccc(OC)c2)CC2(CCC2)C1.
What is the InChIKey of N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide?
The InChIKey is UXUDCYLBNYEMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-15(19)18-17(11-16(12-17)8-5-9-16)13-6-4-7-14(10-13)20-2/h3-4,6-7,10H,1,5,8-9,11-12H2,2H3,(H,18,19).
What are the key properties of N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide?
N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide has a molecular weight of 271.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide is sourced from PubChem (CID 166428308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).